1-(4-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-amine

C9H16N4 — CID 62694271

IUPAC1-(4-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
SMILESCCn1cnnc1C1(N)CCCC1
InChIInChI=1S/C9H16N4/c1-2-13-7-11-12-8(13)9(10)5-3-4-6-9/h7H,2-6,10H2,1H3
InChIKeyZAWYESBUAHMNFP-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.03
Rot. Bonds2

About 1-(4-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-amine

1-(4-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-amine (PubChem CID 62694271) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(4-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
PubChem CID62694271
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-(4-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
SMILESCCn1cnnc1C1(N)CCCC1
InChIInChI=1S/C9H16N4/c1-2-13-7-11-12-8(13)9(10)5-3-4-6-9/h7H,2-6,10H2,1H3
InChIKeyZAWYESBUAHMNFP-UHFFFAOYSA-N
XLogP1.03
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethyl-1,2,4-triazol-3-yl)oxan-4-amine
CID 115293381
[1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
CID 115447062
4-ethyl-3-(1-methoxycyclopentyl)-1,2,4-triazole
CID 164660521
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
CID 130987229
1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 61377993
4-ethyl-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 63126328
4-ethyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 55107399
4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxan-4-amine
CID 115293386
3-(1-methylcyclopentyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395553
4-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 62693680
1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine
CID 62723021
1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 61362583

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The IUPAC name of 1-(4-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-amine (CID 62694271) is 1-(4-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(4-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(4-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-amine is CCn1cnnc1C1(N)CCCC1.
What is the InChIKey of 1-(4-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
The InChIKey is ZAWYESBUAHMNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-13-7-11-12-8(13)9(10)5-3-4-6-9/h7H,2-6,10H2,1H3.
What are the key properties of 1-(4-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-amine?
1-(4-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-amine has a molecular weight of 180.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 62694271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).