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

C19H18N6O — CID 666905

IUPACN-benzyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)NCc2ccccc2)C(c2cccnc2)n2ncnc2N1
InChIInChI=1S/C19H18N6O/c1-13-16(18(26)21-10-14-6-3-2-4-7-14)17(15-8-5-9-20-11-15)25-19(24-13)22-12-23-25/h2-9,11-12,17H,10H2,1H3,(H,21,26)(H,22,23,24)
InChIKeyFBQLFFAFWFZPRG-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.28
Rot. Bonds4

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

N-benzyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 666905) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-benzyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID666905
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-benzyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)NCc2ccccc2)C(c2cccnc2)n2ncnc2N1
InChIInChI=1S/C19H18N6O/c1-13-16(18(26)21-10-14-6-3-2-4-7-14)17(15-8-5-9-20-11-15)25-19(24-13)22-12-23-25/h2-9,11-12,17H,10H2,1H3,(H,21,26)(H,22,23,24)
InChIKeyFBQLFFAFWFZPRG-UHFFFAOYSA-N
XLogP2.28
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-benzyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 666905) is N-benzyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-benzyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-benzyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)NCc2ccccc2)C(c2cccnc2)n2ncnc2N1.
What is the InChIKey of N-benzyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is FBQLFFAFWFZPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-13-16(18(26)21-10-14-6-3-2-4-7-14)17(15-8-5-9-20-11-15)25-19(24-13)22-12-23-25/h2-9,11-12,17H,10H2,1H3,(H,21,26)(H,22,23,24).
What are the key properties of N-benzyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N-benzyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 666905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).