N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide

C13H15N7O — CID 121168450

IUPACN-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
SMILESO=C(NC1CC1)C1CN(c2cc(-n3cncn3)ncn2)C1
InChIInChI=1S/C13H15N7O/c21-13(18-10-1-2-10)9-4-19(5-9)11-3-12(16-7-15-11)20-8-14-6-17-20/h3,6-10H,1-2,4-5H2,(H,18,21)
InChIKeyLFMHNHKQXVSIND-UHFFFAOYSA-N
MW285.31 g/mol
LogP-0.23
Rot. Bonds4

About N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide

N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide (PubChem CID 121168450) has the molecular formula C13H15N7O and a molecular weight of 285.31 g/mol. Its IUPAC name is N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
PubChem CID121168450
Molecular FormulaC13H15N7O
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC NameN-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
SMILESO=C(NC1CC1)C1CN(c2cc(-n3cncn3)ncn2)C1
InChIInChI=1S/C13H15N7O/c21-13(18-10-1-2-10)9-4-19(5-9)11-3-12(16-7-15-11)20-8-14-6-17-20/h3,6-10H,1-2,4-5H2,(H,18,21)
InChIKeyLFMHNHKQXVSIND-UHFFFAOYSA-N
XLogP-0.23
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90600584
N-tert-butyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168311
N-(4-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168353
N-[3-(dimethylamino)propyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168316
N-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121018233
1-[4-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 121168434
1-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]piperidine-4-carboxamide
CID 121168325
N-(3-acetylphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168361
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168470
N-(4-butylphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168397
N-[(6-methoxy-3-pyridinyl)methyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168571
N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168588

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide (CID 121168450) is N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide is O=C(NC1CC1)C1CN(c2cc(-n3cncn3)ncn2)C1.
What is the InChIKey of N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
The InChIKey is LFMHNHKQXVSIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O/c21-13(18-10-1-2-10)9-4-19(5-9)11-3-12(16-7-15-11)20-8-14-6-17-20/h3,6-10H,1-2,4-5H2,(H,18,21).
What are the key properties of N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide has a molecular weight of 285.31 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide is sourced from PubChem (CID 121168450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).