N-(3-methoxypropyl)-2-methyltriazole-4-carboxamide

C8H14N4O2 — CID 110691359

IUPACN-(3-methoxypropyl)-2-methyltriazole-4-carboxamide
SMILESCOCCCNC(=O)c1cnn(C)n1
InChIInChI=1S/C8H14N4O2/c1-12-10-6-7(11-12)8(13)9-4-3-5-14-2/h6H,3-5H2,1-2H3,(H,9,13)
InChIKeyORGTVKIVJADLLO-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.42
Rot. Bonds5

About N-(3-methoxypropyl)-2-methyltriazole-4-carboxamide

N-(3-methoxypropyl)-2-methyltriazole-4-carboxamide (PubChem CID 110691359) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-methyltriazole-4-carboxamide
PubChem CID110691359
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC NameN-(3-methoxypropyl)-2-methyltriazole-4-carboxamide
SMILESCOCCCNC(=O)c1cnn(C)n1
InChIInChI=1S/C8H14N4O2/c1-12-10-6-7(11-12)8(13)9-4-3-5-14-2/h6H,3-5H2,1-2H3,(H,9,13)
InChIKeyORGTVKIVJADLLO-UHFFFAOYSA-N
XLogP-0.42
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethyl)-2-methyltriazole-4-carboxamide
CID 130519437
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
N-hydroxy-2-methyltriazole-4-carboxamide
CID 137244792
5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
CID 82547322
4-(3-methoxypropylcarbamoyl)-1-methylpyrazole-5-carboxylic acid
CID 19623815
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972
N-[2-(1H-indol-3-yl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691403
5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276095
4-bromo-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide
CID 19476830
N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537426

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-methyltriazole-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-methyltriazole-4-carboxamide (CID 110691359) is N-(3-methoxypropyl)-2-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-methyltriazole-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-methyltriazole-4-carboxamide is COCCCNC(=O)c1cnn(C)n1.
What is the InChIKey of N-(3-methoxypropyl)-2-methyltriazole-4-carboxamide?
The InChIKey is ORGTVKIVJADLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-12-10-6-7(11-12)8(13)9-4-3-5-14-2/h6H,3-5H2,1-2H3,(H,9,13).
What are the key properties of N-(3-methoxypropyl)-2-methyltriazole-4-carboxamide?
N-(3-methoxypropyl)-2-methyltriazole-4-carboxamide has a molecular weight of 198.23 g/mol, XLogP of -0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-methyltriazole-4-carboxamide is sourced from PubChem (CID 110691359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).