2-amino-2-cyclopropyl-N-[4-(triazol-2-yl)phenyl]propanamide

C14H17N5O — CID 60867892

IUPAC2-amino-2-cyclopropyl-N-[4-(triazol-2-yl)phenyl]propanamide
SMILESCC(N)(C(=O)Nc1ccc(-n2nccn2)cc1)C1CC1
InChIInChI=1S/C14H17N5O/c1-14(15,10-2-3-10)13(20)18-11-4-6-12(7-5-11)19-16-8-9-17-19/h4-10H,2-3,15H2,1H3,(H,18,20)
InChIKeyCCTVAJVJVZIOAW-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.33
Rot. Bonds4

About 2-amino-2-cyclopropyl-N-[4-(triazol-2-yl)phenyl]propanamide

2-amino-2-cyclopropyl-N-[4-(triazol-2-yl)phenyl]propanamide (PubChem CID 60867892) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N-[4-(triazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N-[4-(triazol-2-yl)phenyl]propanamide
PubChem CID60867892
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-amino-2-cyclopropyl-N-[4-(triazol-2-yl)phenyl]propanamide
SMILESCC(N)(C(=O)Nc1ccc(-n2nccn2)cc1)C1CC1
InChIInChI=1S/C14H17N5O/c1-14(15,10-2-3-10)13(20)18-11-4-6-12(7-5-11)19-16-8-9-17-19/h4-10H,2-3,15H2,1H3,(H,18,20)
InChIKeyCCTVAJVJVZIOAW-UHFFFAOYSA-N
XLogP1.33
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-amino-2-cyclopropyl-N-(4-propan-2-ylphenyl)propanamide
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CID 61237343
2-amino-N-(6-bromo-3-pyridinyl)-2-cyclopropylpropanamide
CID 103821261
2-amino-2-cyclopropyl-N-(3-imidazol-1-ylphenyl)propanamide
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1-tert-butyl-3-[4-(triazol-2-yl)phenyl]urea
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2-amino-2-cyclopropyl-N-[4-(sulfamoylmethyl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-N-[4-(triazol-2-yl)phenyl]propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-N-[4-(triazol-2-yl)phenyl]propanamide (CID 60867892) is 2-amino-2-cyclopropyl-N-[4-(triazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N-[4-(triazol-2-yl)phenyl]propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N-[4-(triazol-2-yl)phenyl]propanamide is CC(N)(C(=O)Nc1ccc(-n2nccn2)cc1)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-N-[4-(triazol-2-yl)phenyl]propanamide?
The InChIKey is CCTVAJVJVZIOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-14(15,10-2-3-10)13(20)18-11-4-6-12(7-5-11)19-16-8-9-17-19/h4-10H,2-3,15H2,1H3,(H,18,20).
What are the key properties of 2-amino-2-cyclopropyl-N-[4-(triazol-2-yl)phenyl]propanamide?
2-amino-2-cyclopropyl-N-[4-(triazol-2-yl)phenyl]propanamide has a molecular weight of 271.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N-[4-(triazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 60867892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).