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

C12H15N5O — CID 54862643

IUPAC3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
SMILESCc1nc(-c2cccc(NC(=O)CCN)c2)n[nH]1
InChIInChI=1S/C12H15N5O/c1-8-14-12(17-16-8)9-3-2-4-10(7-9)15-11(18)5-6-13/h2-4,7H,5-6,13H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyUJVOTIQGUJQLQH-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.07
Rot. Bonds4

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

3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide (PubChem CID 54862643) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
PubChem CID54862643
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
SMILESCc1nc(-c2cccc(NC(=O)CCN)c2)n[nH]1
InChIInChI=1S/C12H15N5O/c1-8-14-12(17-16-8)9-3-2-4-10(7-9)15-11(18)5-6-13/h2-4,7H,5-6,13H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyUJVOTIQGUJQLQH-UHFFFAOYSA-N
XLogP1.07
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
The IUPAC name of 3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide (CID 54862643) is 3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
The canonical SMILES for 3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide is Cc1nc(-c2cccc(NC(=O)CCN)c2)n[nH]1.
What is the InChIKey of 3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
The InChIKey is UJVOTIQGUJQLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-14-12(17-16-8)9-3-2-4-10(7-9)15-11(18)5-6-13/h2-4,7H,5-6,13H2,1H3,(H,15,18)(H,14,16,17).
What are the key properties of 3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide has a molecular weight of 245.29 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide is sourced from PubChem (CID 54862643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).