N-(3H-benzimidazol-5-yl)-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

C14H14N8O — CID 171358114

IUPACN-(3H-benzimidazol-5-yl)-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3nc[nH]c3c2)Cn2nnnc2N1C
InChIInChI=1S/C14H14N8O/c1-8-10(6-22-14(21(8)2)18-19-20-22)13(23)17-9-3-4-11-12(5-9)16-7-15-11/h3-5,7H,6H2,1-2H3,(H,15,16)(H,17,23)
InChIKeyALPNZULUJPWPKG-UHFFFAOYSA-N
MW310.32 g/mol
LogP0.91
Rot. Bonds2

About N-(3H-benzimidazol-5-yl)-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide

N-(3H-benzimidazol-5-yl)-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 171358114) has the molecular formula C14H14N8O and a molecular weight of 310.32 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID171358114
Molecular FormulaC14H14N8O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC NameN-(3H-benzimidazol-5-yl)-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3nc[nH]c3c2)Cn2nnnc2N1C
InChIInChI=1S/C14H14N8O/c1-8-10(6-22-14(21(8)2)18-19-20-22)13(23)17-9-3-4-11-12(5-9)16-7-15-11/h3-5,7H,6H2,1-2H3,(H,15,16)(H,17,23)
InChIKeyALPNZULUJPWPKG-UHFFFAOYSA-N
XLogP0.91
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3H-benzimidazol-5-yl)-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 171358114) is N-(3H-benzimidazol-5-yl)-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccc3nc[nH]c3c2)Cn2nnnc2N1C.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is ALPNZULUJPWPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N8O/c1-8-10(6-22-14(21(8)2)18-19-20-22)13(23)17-9-3-4-11-12(5-9)16-7-15-11/h3-5,7H,6H2,1-2H3,(H,15,16)(H,17,23).
What are the key properties of N-(3H-benzimidazol-5-yl)-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(3H-benzimidazol-5-yl)-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 310.32 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 171358114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).