N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide

C12H15N5O — CID 63254516

IUPACN-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide
SMILESNCc1cccc(NC(=O)CCn2ccnn2)c1
InChIInChI=1S/C12H15N5O/c13-9-10-2-1-3-11(8-10)15-12(18)4-6-17-7-5-14-16-17/h1-3,5,7-8H,4,6,9,13H2,(H,15,18)
InChIKeyOHLDNHUQVNGWGC-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.77
Rot. Bonds5

About N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide

N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide (PubChem CID 63254516) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide
PubChem CID63254516
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide
SMILESNCc1cccc(NC(=O)CCn2ccnn2)c1
InChIInChI=1S/C12H15N5O/c13-9-10-2-1-3-11(8-10)15-12(18)4-6-17-7-5-14-16-17/h1-3,5,7-8H,4,6,9,13H2,(H,15,18)
InChIKeyOHLDNHUQVNGWGC-UHFFFAOYSA-N
XLogP0.77
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-iodophenyl)-3-(triazol-1-yl)propanamide
CID 60725374
N-(3-bromophenyl)-3-(triazol-1-yl)propanamide
CID 43111902
N-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide
CID 63121181
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(triazol-1-yl)propanamide;hydrochloride
CID 120604640
N-[3-(aminomethyl)phenyl]-3-(2-oxopyrimidin-1-yl)propanamide
CID 16787006
N-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide
CID 63257477
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
N-[3-(methylaminomethyl)phenyl]-2-(triazol-1-yl)acetamide
CID 81481429
2-hydroxy-4-[3-(triazol-1-yl)propanoylamino]benzoic acid
CID 28790453
N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide
CID 103824710
4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
CID 110481799
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-[3-(aminomethyl)phenyl]propanamide
CID 115559140

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide (CID 63254516) is N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide is NCc1cccc(NC(=O)CCn2ccnn2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide?
The InChIKey is OHLDNHUQVNGWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-9-10-2-1-3-11(8-10)15-12(18)4-6-17-7-5-14-16-17/h1-3,5,7-8H,4,6,9,13H2,(H,15,18).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide?
N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide has a molecular weight of 245.29 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 63254516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).