3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide

C18H19N7O2 — CID 131894681

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H19N7O2/c1-10-13(11(2)25-17(22-10)20-9-21-25)4-6-16(26)19-8-12-3-5-14-15(7-12)24-18(27)23-14/h3,5,7,9H,4,6,8H2,1-2H3,(H,19,26)(H2,23,24,27)
InChIKeySAUVSNHICAPNQF-UHFFFAOYSA-N
MW365.40 g/mol
LogP1.16
Rot. Bonds5

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide (PubChem CID 131894681) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
PubChem CID131894681
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H19N7O2/c1-10-13(11(2)25-17(22-10)20-9-21-25)4-6-16(26)19-8-12-3-5-14-15(7-12)24-18(27)23-14/h3,5,7,9H,4,6,8H2,1-2H3,(H,19,26)(H2,23,24,27)
InChIKeySAUVSNHICAPNQF-UHFFFAOYSA-N
XLogP1.16
TPSA120.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]propanamide
CID 47037193
5-[[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 133453332
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propanamide
CID 55844425
N-[2-(4-aminophenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 119547739
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 60515783
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide
CID 9404425
N-butyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 18106246
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylpropanamide
CID 20863520
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylbutyl)propanamide
CID 20863517
N-(2-amino-2-methylpropyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide;hydrochloride
CID 119626416
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538607
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 18157120

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide (CID 131894681) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide?
The InChIKey is SAUVSNHICAPNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-10-13(11(2)25-17(22-10)20-9-21-25)4-6-16(26)19-8-12-3-5-14-15(7-12)24-18(27)23-14/h3,5,7,9H,4,6,8H2,1-2H3,(H,19,26)(H2,23,24,27).
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide has a molecular weight of 365.40 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide is sourced from PubChem (CID 131894681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).