N-[(S)-cyclopropyl(phenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)propanamide

C15H18N4O — CID 95973818

IUPACN-[(S)-cyclopropyl(phenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CCc1ncn[nH]1)N[C@H](c1ccccc1)C1CC1
InChIInChI=1S/C15H18N4O/c20-14(9-8-13-16-10-17-19-13)18-15(12-6-7-12)11-4-2-1-3-5-11/h1-5,10,12,15H,6-9H2,(H,18,20)(H,16,17,19)/t15-/m1/s1
InChIKeyVONYRYCPJXZGGV-OAHLLOKOSA-N
MW270.34 g/mol
LogP2.00
Rot. Bonds6

About N-[(S)-cyclopropyl(phenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)propanamide

N-[(S)-cyclopropyl(phenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 95973818) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[(S)-cyclopropyl(phenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl(phenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID95973818
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[(S)-cyclopropyl(phenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CCc1ncn[nH]1)N[C@H](c1ccccc1)C1CC1
InChIInChI=1S/C15H18N4O/c20-14(9-8-13-16-10-17-19-13)18-15(12-6-7-12)11-4-2-1-3-5-11/h1-5,10,12,15H,6-9H2,(H,18,20)(H,16,17,19)/t15-/m1/s1
InChIKeyVONYRYCPJXZGGV-OAHLLOKOSA-N
XLogP2.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl(phenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of N-[(S)-cyclopropyl(phenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)propanamide (CID 95973818) is N-[(S)-cyclopropyl(phenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for N-[(S)-cyclopropyl(phenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for N-[(S)-cyclopropyl(phenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)propanamide is O=C(CCc1ncn[nH]1)N[C@H](c1ccccc1)C1CC1.
What is the InChIKey of N-[(S)-cyclopropyl(phenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is VONYRYCPJXZGGV-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18N4O/c20-14(9-8-13-16-10-17-19-13)18-15(12-6-7-12)11-4-2-1-3-5-11/h1-5,10,12,15H,6-9H2,(H,18,20)(H,16,17,19)/t15-/m1/s1.
What are the key properties of N-[(S)-cyclopropyl(phenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)propanamide?
N-[(S)-cyclopropyl(phenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 270.34 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl(phenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 95973818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).