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

C9H14N4O — CID 130162767

IUPAC1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(C)CC1)c1ncn[nH]1
InChIInChI=1S/C9H14N4O/c1-6(7-10-5-11-13-7)12-8(14)9(2)3-4-9/h5-6H,3-4H2,1-2H3,(H,12,14)(H,10,11,13)
InChIKeyRABGJUHEZCHADG-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.78
Rot. Bonds3

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

1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 130162767) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID130162767
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(C)CC1)c1ncn[nH]1
InChIInChI=1S/C9H14N4O/c1-6(7-10-5-11-13-7)12-8(14)9(2)3-4-9/h5-6H,3-4H2,1-2H3,(H,12,14)(H,10,11,13)
InChIKeyRABGJUHEZCHADG-UHFFFAOYSA-N
XLogP0.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide
CID 103773704
1-carbamothioyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 106281487
3-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-3-carboxamide
CID 114168036
(3R,5R)-3,5-dimethyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]adamantane-1-carboxamide
CID 98357532
1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 106283288
1-cyano-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
CID 113255770
3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282693
2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106282578
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-ynamide
CID 103846656
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidine-1-carboxamide
CID 103912454
1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 103912459
1-[[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106283274

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide (CID 130162767) is 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide is CC(NC(=O)C1(C)CC1)c1ncn[nH]1.
What is the InChIKey of 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is RABGJUHEZCHADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6(7-10-5-11-13-7)12-8(14)9(2)3-4-9/h5-6H,3-4H2,1-2H3,(H,12,14)(H,10,11,13).
What are the key properties of 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide?
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 194.24 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 130162767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).