1-(4-aminophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide

C13H15N5O — CID 112558424

IUPAC1-(4-aminophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
SMILESCn1ncnc1NC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C13H15N5O/c1-18-12(15-8-16-18)17-11(19)13(6-7-13)9-2-4-10(14)5-3-9/h2-5,8H,6-7,14H2,1H3,(H,15,16,17,19)
InChIKeyXHHMIPMBNNZADR-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.07
Rot. Bonds3

About 1-(4-aminophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 112558424) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
PubChem CID112558424
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name1-(4-aminophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
SMILESCn1ncnc1NC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C13H15N5O/c1-18-12(15-8-16-18)17-11(19)13(6-7-13)9-2-4-10(14)5-3-9/h2-5,8H,6-7,14H2,1H3,(H,15,16,17,19)
InChIKeyXHHMIPMBNNZADR-UHFFFAOYSA-N
XLogP1.07
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-(dimethylamino)phenyl]-N-[2-(1H-1,2,4-triazol-1-yl)ethyl]acetamide
CID 91774166
2-[2-Fluoro-4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 173080430
2-(2-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide
CID 78860178
2-(4-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide
CID 78860179
1-(3-fluorophenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclobutane-1-carboxamide
CID 78860188
3-amino-5-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 81582384
4-amino-3-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 81582389
4-amino-2-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 81582728
3-amino-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 81582884
3-amino-2,6-difluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 81584643
4-amino-N-(2-methyl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzamide
CID 81585030
5-amino-2-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 81587958

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide (CID 112558424) is 1-(4-aminophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide is Cn1ncnc1NC(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is XHHMIPMBNNZADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-18-12(15-8-16-18)17-11(19)13(6-7-13)9-2-4-10(14)5-3-9/h2-5,8H,6-7,14H2,1H3,(H,15,16,17,19).
What are the key properties of 1-(4-aminophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 112558424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).