2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide

C9H14N4O — CID 64531607

IUPAC2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C9H14N4O/c1-6-4-7(6)9(14)10-3-2-8-11-5-12-13-8/h5-7H,2-4H2,1H3,(H,10,14)(H,11,12,13)
InChIKeyMAYWKDISIAOSRS-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.12
Rot. Bonds4

About 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide

2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 64531607) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID64531607
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C9H14N4O/c1-6-4-7(6)9(14)10-3-2-8-11-5-12-13-8/h5-7H,2-4H2,1H3,(H,10,14)(H,11,12,13)
InChIKeyMAYWKDISIAOSRS-UHFFFAOYSA-N
XLogP0.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511873
3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 71980106
4-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]oxolane-3-carboxamide
CID 66259125
2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide
CID 79758881
5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]oxolane-3-carboxamide
CID 114826327
4-ethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-2-carboxamide
CID 114429118
1,1-dimethyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 79153968
1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide
CID 64547042
methyl 2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]acetate
CID 112617333
N-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 115620229
3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64546432
2-cyclobutyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725330

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide (CID 64531607) is 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide is CC1CC1C(=O)NCCc1ncn[nH]1.
What is the InChIKey of 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is MAYWKDISIAOSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6-4-7(6)9(14)10-3-2-8-11-5-12-13-8/h5-7H,2-4H2,1H3,(H,10,14)(H,11,12,13).
What are the key properties of 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide?
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 194.24 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 64531607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).