(7S)-7-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C11H12ClN7O — CID 136670299

IUPAC(7S)-7-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(N)=O)[C@@H](c2c(Cl)cnn2C)n2ncnc2N1
InChIInChI=1S/C11H12ClN7O/c1-5-7(10(13)20)9(8-6(12)3-15-18(8)2)19-11(17-5)14-4-16-19/h3-4,9H,1-2H3,(H2,13,20)(H,14,16,17)/t9-/m0/s1
InChIKeyVVORUJNTALADOU-VIFPVBQESA-N
MW293.72 g/mol
LogP0.44
Rot. Bonds2

About (7S)-7-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

(7S)-7-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 136670299) has the molecular formula C11H12ClN7O and a molecular weight of 293.72 g/mol. Its IUPAC name is (7S)-7-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7S)-7-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID136670299
Molecular FormulaC11H12ClN7O
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC Name(7S)-7-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(N)=O)[C@@H](c2c(Cl)cnn2C)n2ncnc2N1
InChIInChI=1S/C11H12ClN7O/c1-5-7(10(13)20)9(8-6(12)3-15-18(8)2)19-11(17-5)14-4-16-19/h3-4,9H,1-2H3,(H2,13,20)(H,14,16,17)/t9-/m0/s1
InChIKeyVVORUJNTALADOU-VIFPVBQESA-N
XLogP0.44
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(7R)-7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135744337
5-methyl-7-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135656891
(7S)-5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 696252
(7R)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135933013
7-(furan-2-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135633345
(7S)-7-(furan-2-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136901769
7-(5-bromofuran-2-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135805586
7-[2-[(4-chlorophenyl)methoxy]phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135825994
1-[(7S)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 732967
(7R)-7-(2,4-dimethoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 696318
(7R)-5-methyl-7-(3-nitrophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 696209
(7S)-7-(3-ethoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 1178799

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7S)-7-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 136670299) is (7S)-7-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7S)-7-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7S)-7-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(N)=O)[C@@H](c2c(Cl)cnn2C)n2ncnc2N1.
What is the InChIKey of (7S)-7-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is VVORUJNTALADOU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12ClN7O/c1-5-7(10(13)20)9(8-6(12)3-15-18(8)2)19-11(17-5)14-4-16-19/h3-4,9H,1-2H3,(H2,13,20)(H,14,16,17)/t9-/m0/s1.
What are the key properties of (7S)-7-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
(7S)-7-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 293.72 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 136670299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).