2-(cyclopentylamino)-1-(3-methyltriazol-4-yl)ethanone

C10H16N4O — CID 114691892

IUPAC2-(cyclopentylamino)-1-(3-methyltriazol-4-yl)ethanone
SMILESCn1nncc1C(=O)CNC1CCCC1
InChIInChI=1S/C10H16N4O/c1-14-9(6-12-13-14)10(15)7-11-8-4-2-3-5-8/h6,8,11H,2-5,7H2,1H3
InChIKeyGAAPXXMQNGXJDO-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.53
Rot. Bonds4

About 2-(cyclopentylamino)-1-(3-methyltriazol-4-yl)ethanone

2-(cyclopentylamino)-1-(3-methyltriazol-4-yl)ethanone (PubChem CID 114691892) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(cyclopentylamino)-1-(3-methyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopentylamino)-1-(3-methyltriazol-4-yl)ethanone
PubChem CID114691892
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-(cyclopentylamino)-1-(3-methyltriazol-4-yl)ethanone
SMILESCn1nncc1C(=O)CNC1CCCC1
InChIInChI=1S/C10H16N4O/c1-14-9(6-12-13-14)10(15)7-11-8-4-2-3-5-8/h6,8,11H,2-5,7H2,1H3
InChIKeyGAAPXXMQNGXJDO-UHFFFAOYSA-N
XLogP0.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methyltriazol-4-yl)propan-1-one
CID 114685623
1-(3-methyltriazol-4-yl)-2-(prop-2-enylamino)ethanone
CID 114692177
cyclobutyl-(3-methyltriazol-4-yl)methanone
CID 114685839
2-(cyclohexylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110653828
3-methyltriazole-4-carbonyl chloride
CID 119095890
[(2S)-2-cyclopentylpyrrolidin-1-yl]-(3-methyltriazol-4-yl)methanone
CID 100694661
2-(cyclopropylamino)-1-(1-methylimidazol-2-yl)ethanone
CID 82468293
1-(3-methyltriazol-4-yl)dodecan-1-one
CID 115806821
2-(3,5-dimethyl-1-adamantyl)-1-(3-methyltriazol-4-yl)ethanone
CID 115806882
2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone
CID 82121333
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 82102039
2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethanone
CID 114685716

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-1-(3-methyltriazol-4-yl)ethanone?
The IUPAC name of 2-(cyclopentylamino)-1-(3-methyltriazol-4-yl)ethanone (CID 114691892) is 2-(cyclopentylamino)-1-(3-methyltriazol-4-yl)ethanone.
What is the SMILES notation for 2-(cyclopentylamino)-1-(3-methyltriazol-4-yl)ethanone?
The canonical SMILES for 2-(cyclopentylamino)-1-(3-methyltriazol-4-yl)ethanone is Cn1nncc1C(=O)CNC1CCCC1.
What is the InChIKey of 2-(cyclopentylamino)-1-(3-methyltriazol-4-yl)ethanone?
The InChIKey is GAAPXXMQNGXJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14-9(6-12-13-14)10(15)7-11-8-4-2-3-5-8/h6,8,11H,2-5,7H2,1H3.
What are the key properties of 2-(cyclopentylamino)-1-(3-methyltriazol-4-yl)ethanone?
2-(cyclopentylamino)-1-(3-methyltriazol-4-yl)ethanone has a molecular weight of 208.26 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-1-(3-methyltriazol-4-yl)ethanone is sourced from PubChem (CID 114691892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).