N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C18H17N9O — CID 46538553

IUPACN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3ccc(-c4nnnn4C4CC4)cc3)nc2n1
InChIInChI=1S/C18H17N9O/c1-10-9-11(2)26-18(19-10)21-15(23-26)17(28)20-13-5-3-12(4-6-13)16-22-24-25-27(16)14-7-8-14/h3-6,9,14H,7-8H2,1-2H3,(H,20,28)
InChIKeyPZAJECUJSAYXAA-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.98
Rot. Bonds4

About N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 46538553) has the molecular formula C18H17N9O and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID46538553
Molecular FormulaC18H17N9O
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3ccc(-c4nnnn4C4CC4)cc3)nc2n1
InChIInChI=1S/C18H17N9O/c1-10-9-11(2)26-18(19-10)21-15(23-26)17(28)20-13-5-3-12(4-6-13)16-22-24-25-27(16)14-7-8-14/h3-6,9,14H,7-8H2,1-2H3,(H,20,28)
InChIKeyPZAJECUJSAYXAA-UHFFFAOYSA-N
XLogP1.98
TPSA115.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-carbamoylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 8885438
5,7-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2117306
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 60724572
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide
CID 46548478
tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate
CID 65142786
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 30701945
(E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide
CID 112725246
4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide
CID 30702128
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2,3-diethylquinoxaline-6-carboxamide
CID 30765806
N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide
CID 84759253
N-(3-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26737028
N-(3-iodo-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 7925593

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 46538553) is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)Nc3ccc(-c4nnnn4C4CC4)cc3)nc2n1.
What is the InChIKey of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is PZAJECUJSAYXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N9O/c1-10-9-11(2)26-18(19-10)21-15(23-26)17(28)20-13-5-3-12(4-6-13)16-22-24-25-27(16)14-7-8-14/h3-6,9,14H,7-8H2,1-2H3,(H,20,28).
What are the key properties of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 46538553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).