N-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide

C10H19N5O — CID 103822634

IUPACN-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCC(C)N(C)CCNC(=O)c1ncn[nH]1
InChIInChI=1S/C10H19N5O/c1-4-8(2)15(3)6-5-11-10(16)9-12-7-13-14-9/h7-8H,4-6H2,1-3H3,(H,11,16)(H,12,13,14)
InChIKeyZNPREBZRUNCGTM-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.26
Rot. Bonds6

About N-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide

N-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 103822634) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID103822634
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCC(C)N(C)CCNC(=O)c1ncn[nH]1
InChIInChI=1S/C10H19N5O/c1-4-8(2)15(3)6-5-11-10(16)9-12-7-13-14-9/h7-8H,4-6H2,1-3H3,(H,11,16)(H,12,13,14)
InChIKeyZNPREBZRUNCGTM-UHFFFAOYSA-N
XLogP0.26
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide 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

N-[2-[ethyl(propyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 103824860
N-[2-[cyclopropyl(ethyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 103822632
N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749130
N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
CID 103886008
N-(3,3-dimethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749109
N-[2-[butan-2-yl(methyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113232975
N-[(E)-pent-3-enyl]-1H-1,2,4-triazole-5-carboxamide
CID 115749138
2-hydroxy-4-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid
CID 107831797
N-(2,2-difluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 115283347
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-hydrazinylpyridine-4-carboxamide
CID 114133340
6-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 114134948
3-bromo-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 114078807

Frequently Asked Questions

What is the IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide (CID 103822634) is N-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide is CCC(C)N(C)CCNC(=O)c1ncn[nH]1.
What is the InChIKey of N-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is ZNPREBZRUNCGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-4-8(2)15(3)6-5-11-10(16)9-12-7-13-14-9/h7-8H,4-6H2,1-3H3,(H,11,16)(H,12,13,14).
What are the key properties of N-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide?
N-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 225.30 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butan-2-yl(methyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 103822634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).