N-methyl-7-propan-2-yl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

C18H22N6O2 — CID 72928173

IUPACN-methyl-7-propan-2-yl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)Cc2noc3c2CCCC3)nc2ncnn12
InChIInChI=1S/C18H22N6O2/c1-11(2)15-8-13(21-18-19-10-20-24(15)18)17(25)23(3)9-14-12-6-4-5-7-16(12)26-22-14/h8,10-11H,4-7,9H2,1-3H3
InChIKeyYPNZWMUTDIQPOZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.39
Rot. Bonds4

About N-methyl-7-propan-2-yl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

N-methyl-7-propan-2-yl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 72928173) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-methyl-7-propan-2-yl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-7-propan-2-yl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID72928173
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC NameN-methyl-7-propan-2-yl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)Cc2noc3c2CCCC3)nc2ncnn12
InChIInChI=1S/C18H22N6O2/c1-11(2)15-8-13(21-18-19-10-20-24(15)18)17(25)23(3)9-14-12-6-4-5-7-16(12)26-22-14/h8,10-11H,4-7,9H2,1-3H3
InChIKeyYPNZWMUTDIQPOZ-UHFFFAOYSA-N
XLogP2.39
TPSA89.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-7-propan-2-yl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-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-methyl-7-propan-2-yl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-7-propan-2-yl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CID 72928173) is N-methyl-7-propan-2-yl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-7-propan-2-yl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-7-propan-2-yl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is CC(C)c1cc(C(=O)N(C)Cc2noc3c2CCCC3)nc2ncnn12.
What is the InChIKey of N-methyl-7-propan-2-yl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is YPNZWMUTDIQPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-11(2)15-8-13(21-18-19-10-20-24(15)18)17(25)23(3)9-14-12-6-4-5-7-16(12)26-22-14/h8,10-11H,4-7,9H2,1-3H3.
What are the key properties of N-methyl-7-propan-2-yl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
N-methyl-7-propan-2-yl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-propan-2-yl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 72928173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).