1-[5-(cyclopropylamino)-1-(4-methoxyphenyl)triazol-4-yl]ethanone

C14H16N4O2 — CID 126469978

IUPAC1-[5-(cyclopropylamino)-1-(4-methoxyphenyl)triazol-4-yl]ethanone
SMILESCOc1ccc(-n2nnc(C(C)=O)c2NC2CC2)cc1
InChIInChI=1S/C14H16N4O2/c1-9(19)13-14(15-10-3-4-10)18(17-16-13)11-5-7-12(20-2)8-6-11/h5-8,10,15H,3-4H2,1-2H3
InChIKeyCTDDTGZDRPSRPH-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.05
Rot. Bonds5

About 1-[5-(cyclopropylamino)-1-(4-methoxyphenyl)triazol-4-yl]ethanone

1-[5-(cyclopropylamino)-1-(4-methoxyphenyl)triazol-4-yl]ethanone (PubChem CID 126469978) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[5-(cyclopropylamino)-1-(4-methoxyphenyl)triazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(cyclopropylamino)-1-(4-methoxyphenyl)triazol-4-yl]ethanone
PubChem CID126469978
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-[5-(cyclopropylamino)-1-(4-methoxyphenyl)triazol-4-yl]ethanone
SMILESCOc1ccc(-n2nnc(C(C)=O)c2NC2CC2)cc1
InChIInChI=1S/C14H16N4O2/c1-9(19)13-14(15-10-3-4-10)18(17-16-13)11-5-7-12(20-2)8-6-11/h5-8,10,15H,3-4H2,1-2H3
InChIKeyCTDDTGZDRPSRPH-UHFFFAOYSA-N
XLogP2.05
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-methoxyphenyl)-5-[[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]amino]triazol-4-yl]ethanone
CID 7425429
N-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride
CID 119475250
ethyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 43836208
N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 86279715
carbamic acid;N-cyclohexyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 129094343
1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 119460716
3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid
CID 123258965
[1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-yl] formate
CID 90389779
ethyl 5-[[1-(4-chlorophenyl)piperidin-4-yl]amino]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate
CID 155422460
trans-(1S,3S)-3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90389737
[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649270
1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-ol
CID 90389778

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopropylamino)-1-(4-methoxyphenyl)triazol-4-yl]ethanone?
The IUPAC name of 1-[5-(cyclopropylamino)-1-(4-methoxyphenyl)triazol-4-yl]ethanone (CID 126469978) is 1-[5-(cyclopropylamino)-1-(4-methoxyphenyl)triazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(cyclopropylamino)-1-(4-methoxyphenyl)triazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(cyclopropylamino)-1-(4-methoxyphenyl)triazol-4-yl]ethanone is COc1ccc(-n2nnc(C(C)=O)c2NC2CC2)cc1.
What is the InChIKey of 1-[5-(cyclopropylamino)-1-(4-methoxyphenyl)triazol-4-yl]ethanone?
The InChIKey is CTDDTGZDRPSRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9(19)13-14(15-10-3-4-10)18(17-16-13)11-5-7-12(20-2)8-6-11/h5-8,10,15H,3-4H2,1-2H3.
What are the key properties of 1-[5-(cyclopropylamino)-1-(4-methoxyphenyl)triazol-4-yl]ethanone?
1-[5-(cyclopropylamino)-1-(4-methoxyphenyl)triazol-4-yl]ethanone has a molecular weight of 272.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopropylamino)-1-(4-methoxyphenyl)triazol-4-yl]ethanone is sourced from PubChem (CID 126469978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).