N-[(4-cyanophenyl)methyl]-7-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C18H18N6O — CID 134023420

IUPACN-[(4-cyanophenyl)methyl]-7-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)c1nc2nccc(C)n2n1
InChIInChI=1S/C18H18N6O/c1-3-10-23(12-15-6-4-14(11-19)5-7-15)17(25)16-21-18-20-9-8-13(2)24(18)22-16/h4-9H,3,10,12H2,1-2H3
InChIKeyZAYCYBBXBUMSST-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.36
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-7-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[(4-cyanophenyl)methyl]-7-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 134023420) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-7-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-7-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID134023420
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-[(4-cyanophenyl)methyl]-7-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)c1nc2nccc(C)n2n1
InChIInChI=1S/C18H18N6O/c1-3-10-23(12-15-6-4-14(11-19)5-7-15)17(25)16-21-18-20-9-8-13(2)24(18)22-16/h4-9H,3,10,12H2,1-2H3
InChIKeyZAYCYBBXBUMSST-UHFFFAOYSA-N
XLogP2.36
TPSA87.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-7-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-7-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 134023420) is N-[(4-cyanophenyl)methyl]-7-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-7-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-7-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCCN(Cc1ccc(C#N)cc1)C(=O)c1nc2nccc(C)n2n1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-7-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ZAYCYBBXBUMSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-3-10-23(12-15-6-4-14(11-19)5-7-15)17(25)16-21-18-20-9-8-13(2)24(18)22-16/h4-9H,3,10,12H2,1-2H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-7-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(4-cyanophenyl)methyl]-7-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-7-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 134023420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).