3-(cyclopropylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide

C15H19N5O — CID 60867982

IUPAC3-(cyclopropylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCNC1CC1)Nc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C15H19N5O/c21-15(7-8-17-13-5-6-13)19-14-3-1-12(2-4-14)9-20-11-16-10-18-20/h1-4,10-11,13,17H,5-9H2,(H,19,21)
InChIKeyWENDEQHSDWWWJY-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.41
Rot. Bonds7

About 3-(cyclopropylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide

3-(cyclopropylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (PubChem CID 60867982) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
PubChem CID60867982
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-(cyclopropylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCNC1CC1)Nc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C15H19N5O/c21-15(7-8-17-13-5-6-13)19-14-3-1-12(2-4-14)9-20-11-16-10-18-20/h1-4,10-11,13,17H,5-9H2,(H,19,21)
InChIKeyWENDEQHSDWWWJY-UHFFFAOYSA-N
XLogP1.41
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 60927530
2-cyclopentyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 86928588
3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)anilino]propanoic acid
CID 62229939
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131944538
4-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 120564502
2-azido-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 46318276
3-(pyridin-3-ylsulfonylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 31963033
tert-butyl N-[4-oxo-4-[4-(1,2,4-triazol-1-ylmethyl)anilino]butyl]carbamate
CID 78860163
3-(cyclopropylamino)-N-(4-propylphenyl)propanamide
CID 54924971
3-(4-methoxyphenyl)sulfanyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 31959778
3-piperidin-4-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]butanamide
CID 119843495
N-(4-bromophenyl)-3-(cyclopropylamino)propanamide
CID 60723258

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide (CID 60867982) is 3-(cyclopropylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide is O=C(CCNC1CC1)Nc1ccc(Cn2cncn2)cc1.
What is the InChIKey of 3-(cyclopropylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is WENDEQHSDWWWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c21-15(7-8-17-13-5-6-13)19-14-3-1-12(2-4-14)9-20-11-16-10-18-20/h1-4,10-11,13,17H,5-9H2,(H,19,21).
What are the key properties of 3-(cyclopropylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide?
3-(cyclopropylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 285.35 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 60867982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).