N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-4-oxopentanamide

C11H19N5O2 — CID 167455272

IUPACN-[3-[4-(aminomethyl)triazol-1-yl]propyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCCCn1cc(CN)nn1
InChIInChI=1S/C11H19N5O2/c1-9(17)3-4-11(18)13-5-2-6-16-8-10(7-12)14-15-16/h8H,2-7,12H2,1H3,(H,13,18)
InChIKeyKUVFJNBZYGIQCF-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.39
Rot. Bonds8

About N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-4-oxopentanamide

N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-4-oxopentanamide (PubChem CID 167455272) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[3-[4-(aminomethyl)triazol-1-yl]propyl]-4-oxopentanamide
PubChem CID167455272
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-[3-[4-(aminomethyl)triazol-1-yl]propyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCCCn1cc(CN)nn1
InChIInChI=1S/C11H19N5O2/c1-9(17)3-4-11(18)13-5-2-6-16-8-10(7-12)14-15-16/h8H,2-7,12H2,1H3,(H,13,18)
InChIKeyKUVFJNBZYGIQCF-UHFFFAOYSA-N
XLogP-0.39
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-4-oxopentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

AS-Mono-GK-DP
CID 25162991
2-(diethylamino)-N-[(1-heptyltriazol-4-yl)methyl]acetamide
CID 51050543
(4R)-4-{4-[(diethylamino)methyl]-1H-1,2,3-triazol-1-yl}-N-ethyl-L-prolinamide
CID 56715148
(4S)-N-ethyl-4-(4-{[(methoxycarbonyl)(methyl)amino]methyl}-1H-1,2,3-triazol-1-yl)-L-prolinamide hydrochloride
CID 56745334
N-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 118785397
N-[[1-[(2S)-1-cyclopropyl-1-oxopropan-2-yl]triazol-4-yl]methyl]-2-ethylbutanamide
CID 164629904
3-acetamidopropyl-dimethyl-[[1-[[(2S)-pyrrolidin-2-yl]methyl]triazol-4-yl]methyl]azanium
CID 134959534
N'-[[1-(1,2-difluoroethyl)triazol-4-yl]methyl]-N-(2-fluoroethyl)pentanediamide
CID 86289679
2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide
CID 114280351
2-[4-(aminomethyl)triazol-1-yl]-N-(5,5,5-trifluoropentyl)acetamide
CID 115519443
(2S,4S)-4-[4-(diethylaminomethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide
CID 56701962
6-Amino-2-[4-(aminomethyl)triazol-1-yl]-1-piperazin-1-ylhexan-1-one
CID 73759570

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-4-oxopentanamide?
The IUPAC name of N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-4-oxopentanamide (CID 167455272) is N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-4-oxopentanamide.
What is the SMILES notation for N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-4-oxopentanamide?
The canonical SMILES for N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-4-oxopentanamide is CC(=O)CCC(=O)NCCCn1cc(CN)nn1.
What is the InChIKey of N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-4-oxopentanamide?
The InChIKey is KUVFJNBZYGIQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-9(17)3-4-11(18)13-5-2-6-16-8-10(7-12)14-15-16/h8H,2-7,12H2,1H3,(H,13,18).
What are the key properties of N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-4-oxopentanamide?
N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-4-oxopentanamide has a molecular weight of 253.31 g/mol, XLogP of -0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(aminomethyl)triazol-1-yl]propyl]-4-oxopentanamide is sourced from PubChem (CID 167455272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).