1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone

C9H14N4O — CID 107062385

IUPAC1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone
SMILESCn1cc(CC(=O)C2(CN)CC2)nn1
InChIInChI=1S/C9H14N4O/c1-13-5-7(11-12-13)4-8(14)9(6-10)2-3-9/h5H,2-4,6,10H2,1H3
InChIKeyLNFGOCBEUCDSLD-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.33
Rot. Bonds4

About 1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone

1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone (PubChem CID 107062385) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone
PubChem CID107062385
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone
SMILESCn1cc(CC(=O)C2(CN)CC2)nn1
InChIInChI=1S/C9H14N4O/c1-13-5-7(11-12-13)4-8(14)9(6-10)2-3-9/h5H,2-4,6,10H2,1H3
InChIKeyLNFGOCBEUCDSLD-UHFFFAOYSA-N
XLogP-0.33
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062760
1-(1-aminocyclohexyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107061763
2-(1-methyltriazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
CID 107062032
2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanone
CID 107047017
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
1-(3-methylpiperidin-3-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062017
3-amino-3-methyl-1-(1-methyltriazol-4-yl)butan-2-one
CID 107061890
1-[1-(aminomethyl)cyclopropyl]-2-(1-butan-2-ylpyrazol-3-yl)ethanone
CID 116601130
4-methyl-1-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 107057485
3-methyl-1-(1-methyltriazol-4-yl)but-3-en-2-one
CID 107047590
[1-[(1-methyltriazol-4-yl)methyl]cyclooctyl]methanamine
CID 107057461
1-(1-ethoxy-3-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107047533

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone?
The IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone (CID 107062385) is 1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone?
The canonical SMILES for 1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone is Cn1cc(CC(=O)C2(CN)CC2)nn1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone?
The InChIKey is LNFGOCBEUCDSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-13-5-7(11-12-13)4-8(14)9(6-10)2-3-9/h5H,2-4,6,10H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone?
1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone has a molecular weight of 194.24 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopropyl]-2-(1-methyltriazol-4-yl)ethanone is sourced from PubChem (CID 107062385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).