N-(2-methoxypropyl)-2H-triazole-4-carboxamide

C7H12N4O2 — CID 102700159

IUPACN-(2-methoxypropyl)-2H-triazole-4-carboxamide
SMILESCOC(C)CNC(=O)c1cn[nH]n1
InChIInChI=1S/C7H12N4O2/c1-5(13-2)3-8-7(12)6-4-9-11-10-6/h4-5H,3H2,1-2H3,(H,8,12)(H,9,10,11)
InChIKeyKPFKLUOQPLTRLQ-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.43
Rot. Bonds4

About N-(2-methoxypropyl)-2H-triazole-4-carboxamide

N-(2-methoxypropyl)-2H-triazole-4-carboxamide (PubChem CID 102700159) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is N-(2-methoxypropyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-2H-triazole-4-carboxamide
PubChem CID102700159
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC NameN-(2-methoxypropyl)-2H-triazole-4-carboxamide
SMILESCOC(C)CNC(=O)c1cn[nH]n1
InChIInChI=1S/C7H12N4O2/c1-5(13-2)3-8-7(12)6-4-9-11-10-6/h4-5H,3H2,1-2H3,(H,8,12)(H,9,10,11)
InChIKeyKPFKLUOQPLTRLQ-UHFFFAOYSA-N
XLogP-0.43
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-methoxypropyl)-2H-triazole-4-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-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 102700145
N-propyl-2H-triazole-4-carboxamide
CID 54219715
N-[2-(2-bromoethyl)pentyl]-2H-triazole-4-carboxamide
CID 106118031
N-[3-(2-methylpropoxy)propyl]-2H-triazole-4-carboxamide
CID 47338201
(2R)-2-(2H-triazole-4-carbonylamino)propanoic acid
CID 78929265
methyl 6-(2H-triazole-4-carbonylamino)hexanoate
CID 47336093
2H-triazole-4-carbohydrazide
CID 50989778
N-(1-amino-1-oxopropan-2-yl)-2H-triazole-4-carboxamide
CID 112732798
N-(3-methylbut-2-enyl)-2H-triazole-4-carboxamide
CID 103528182
N-[1-(ethylamino)-1-oxopropan-2-yl]-2H-triazole-4-carboxamide
CID 112732760
N-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide
CID 78995318
N-ethoxy-2H-triazole-4-carboxamide
CID 61071491

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(2-methoxypropyl)-2H-triazole-4-carboxamide (CID 102700159) is N-(2-methoxypropyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxypropyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(2-methoxypropyl)-2H-triazole-4-carboxamide is COC(C)CNC(=O)c1cn[nH]n1.
What is the InChIKey of N-(2-methoxypropyl)-2H-triazole-4-carboxamide?
The InChIKey is KPFKLUOQPLTRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-5(13-2)3-8-7(12)6-4-9-11-10-6/h4-5H,3H2,1-2H3,(H,8,12)(H,9,10,11).
What are the key properties of N-(2-methoxypropyl)-2H-triazole-4-carboxamide?
N-(2-methoxypropyl)-2H-triazole-4-carboxamide has a molecular weight of 184.20 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 102700159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).