7-(2,4-dichlorophenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C21H20Cl2N6O2 — CID 135795998

IUPAC7-(2,4-dichlorophenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2ccc(Cl)cc2Cl)n2nc(CCCO)nc2N1
InChIInChI=1S/C21H20Cl2N6O2/c1-12-18(20(31)26-16-5-2-3-9-24-16)19(14-8-7-13(22)11-15(14)23)29-21(25-12)27-17(28-29)6-4-10-30/h2-3,5,7-9,11,19,30H,4,6,10H2,1H3,(H,24,26,31)(H,25,27,28)
InChIKeyOUFHKPNITRILPX-UHFFFAOYSA-N
MW459.34 g/mol
LogP3.83
Rot. Bonds6

About 7-(2,4-dichlorophenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-(2,4-dichlorophenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135795998) has the molecular formula C21H20Cl2N6O2 and a molecular weight of 459.34 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135795998
Molecular FormulaC21H20Cl2N6O2
Molecular Weight459.34 g/mol
Exact Mass458.10
IUPAC Name7-(2,4-dichlorophenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2ccc(Cl)cc2Cl)n2nc(CCCO)nc2N1
InChIInChI=1S/C21H20Cl2N6O2/c1-12-18(20(31)26-16-5-2-3-9-24-16)19(14-8-7-13(22)11-15(14)23)29-21(25-12)27-17(28-29)6-4-10-30/h2-3,5,7-9,11,19,30H,4,6,10H2,1H3,(H,24,26,31)(H,25,27,28)
InChIKeyOUFHKPNITRILPX-UHFFFAOYSA-N
XLogP3.83
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.34
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-hydroxypropyl)-7-(4-methoxyphenyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135769070
7-(3,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135755891
7-(2,3-dichlorophenyl)-2-(3-hydroxypropyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135770001
7-(3,4-dichlorophenyl)-2-(3-hydroxypropyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135575502
(7S)-N-(4-chlorophenyl)-7-(3-fluorophenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135726216
7-(2-chlorophenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135813536
7-(2,3-dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135618830
(7S)-7-(2,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135890371
(7R)-N-(4-chlorophenyl)-7-(4-ethylphenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135882587
7-(2,5-dimethoxyphenyl)-2-(3-hydroxypropyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135594334
(7S)-7-(2-ethoxyphenyl)-2-(3-hydroxypropyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135890373
7-(2,3-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135584353

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichlorophenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(2,4-dichlorophenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135795998) is 7-(2,4-dichlorophenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(2,4-dichlorophenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccn2)C(c2ccc(Cl)cc2Cl)n2nc(CCCO)nc2N1.
What is the InChIKey of 7-(2,4-dichlorophenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is OUFHKPNITRILPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N6O2/c1-12-18(20(31)26-16-5-2-3-9-24-16)19(14-8-7-13(22)11-15(14)23)29-21(25-12)27-17(28-29)6-4-10-30/h2-3,5,7-9,11,19,30H,4,6,10H2,1H3,(H,24,26,31)(H,25,27,28).
What are the key properties of 7-(2,4-dichlorophenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-(2,4-dichlorophenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 459.34 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dichlorophenyl)-2-(3-hydroxypropyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135795998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).