3-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methoxypropan-1-amine

C11H20N4O — CID 103160303

IUPAC3-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methoxypropan-1-amine
SMILESCOC(CN)Cc1nncn1C1CCCC1
InChIInChI=1S/C11H20N4O/c1-16-10(7-12)6-11-14-13-8-15(11)9-4-2-3-5-9/h8-10H,2-7,12H2,1H3
InChIKeyWJJXBQAKOZQPGL-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.91
Rot. Bonds5

About 3-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methoxypropan-1-amine

3-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methoxypropan-1-amine (PubChem CID 103160303) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methoxypropan-1-amine.

Molecular Properties

Compound Name3-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methoxypropan-1-amine
PubChem CID103160303
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methoxypropan-1-amine
SMILESCOC(CN)Cc1nncn1C1CCCC1
InChIInChI=1S/C11H20N4O/c1-16-10(7-12)6-11-14-13-8-15(11)9-4-2-3-5-9/h8-10H,2-7,12H2,1H3
InChIKeyWJJXBQAKOZQPGL-UHFFFAOYSA-N
XLogP0.91
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-3-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine
CID 103160298
2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 103160297
(2S)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-methylpentan-1-amine
CID 104916252
4-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)propan-2-yl]aniline
CID 104503372
2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine
CID 83873587
(4-cyclopropyl-1,2,4-triazol-3-yl)methanamine
CID 50988415
1-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-methylpropan-2-amine
CID 64672693
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-methoxyethanamine
CID 79270074
2-(4-cyclohexyl-1,2,4-triazol-3-yl)butan-1-amine
CID 65226790
1-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 64672496
3-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine
CID 80541547
3-(4-cyclohexyl-1,2,4-triazol-3-yl)butan-1-amine
CID 80541548

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methoxypropan-1-amine?
The IUPAC name of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methoxypropan-1-amine (CID 103160303) is 3-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methoxypropan-1-amine.
What is the SMILES notation for 3-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methoxypropan-1-amine?
The canonical SMILES for 3-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methoxypropan-1-amine is COC(CN)Cc1nncn1C1CCCC1.
What is the InChIKey of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methoxypropan-1-amine?
The InChIKey is WJJXBQAKOZQPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-16-10(7-12)6-11-14-13-8-15(11)9-4-2-3-5-9/h8-10H,2-7,12H2,1H3.
What are the key properties of 3-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methoxypropan-1-amine?
3-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methoxypropan-1-amine has a molecular weight of 224.31 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-methoxypropan-1-amine is sourced from PubChem (CID 103160303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).