N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-propylpyrimidine-5-carboxamide

C18H24N6O2 — CID 91778375

IUPACN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NC1CC(c2nnc(CO)n2C2CC2)C1
InChIInChI=1S/C18H24N6O2/c1-2-3-15-14(8-19-10-20-15)18(26)21-12-6-11(7-12)17-23-22-16(9-25)24(17)13-4-5-13/h8,10-13,25H,2-7,9H2,1H3,(H,21,26)
InChIKeyRRMNGSLMWFEYOY-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.52
Rot. Bonds7

About N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-propylpyrimidine-5-carboxamide

N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-propylpyrimidine-5-carboxamide (PubChem CID 91778375) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-propylpyrimidine-5-carboxamide
PubChem CID91778375
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NC1CC(c2nnc(CO)n2C2CC2)C1
InChIInChI=1S/C18H24N6O2/c1-2-3-15-14(8-19-10-20-15)18(26)21-12-6-11(7-12)17-23-22-16(9-25)24(17)13-4-5-13/h8,10-13,25H,2-7,9H2,1H3,(H,21,26)
InChIKeyRRMNGSLMWFEYOY-UHFFFAOYSA-N
XLogP1.52
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-propylpyrimidine-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

Related Compounds

(4-ethyl-2-methylpyrimidin-5-yl)-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 71928814
N-{trans-3-[4-cyclopropyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-6-(dimethylamino)nicotinamide
CID 91777276
4-propyl-N-[(1S)-1-(4-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 125162216
4-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2-methylpyrimidine-5-carboxamide
CID 138023761
2-(dimethylamino)-4-[(3S)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 164642856
4-cyclopropyl-N-[[3-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1H-1,2,4-triazol-5-yl]methyl]-N,2-dimethylpyrimidine-5-carboxamide
CID 137953556
7-ethyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 43428052
7-ethyl-N-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 43428093
7-ethyl-N-(1-hydroxybutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 43428102
7-ethyl-N-(2-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 43428112
7-ethyl-N-(1-hydroxypropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 43428122
7-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 43500851

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-propylpyrimidine-5-carboxamide (CID 91778375) is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-propylpyrimidine-5-carboxamide is CCCc1ncncc1C(=O)NC1CC(c2nnc(CO)n2C2CC2)C1.
What is the InChIKey of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-propylpyrimidine-5-carboxamide?
The InChIKey is RRMNGSLMWFEYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-2-3-15-14(8-19-10-20-15)18(26)21-12-6-11(7-12)17-23-22-16(9-25)24(17)13-4-5-13/h8,10-13,25H,2-7,9H2,1H3,(H,21,26).
What are the key properties of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-propylpyrimidine-5-carboxamide?
N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-propylpyrimidine-5-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 91778375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).