3-N-[2-(cyclopenten-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine

C9H15N5 — CID 106174357

IUPAC3-N-[2-(cyclopenten-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NCCC2=CCCC2)n[nH]1
InChIInChI=1S/C9H15N5/c10-8-12-9(14-13-8)11-6-5-7-3-1-2-4-7/h3H,1-2,4-6H2,(H4,10,11,12,13,14)
InChIKeyIEKDLXBQXBBVDV-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.30
Rot. Bonds4

About 3-N-[2-(cyclopenten-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine

3-N-[2-(cyclopenten-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine (PubChem CID 106174357) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-N-[2-(cyclopenten-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-[2-(cyclopenten-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
PubChem CID106174357
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name3-N-[2-(cyclopenten-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NCCC2=CCCC2)n[nH]1
InChIInChI=1S/C9H15N5/c10-8-12-9(14-13-8)11-6-5-7-3-1-2-4-7/h3H,1-2,4-6H2,(H4,10,11,12,13,14)
InChIKeyIEKDLXBQXBBVDV-UHFFFAOYSA-N
XLogP1.30
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyrimidin-2-amine
CID 103844172
4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine
CID 106166027
N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-amine
CID 103844256
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 4814912
3-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 106040771
5-N-[2-(cyclopenten-1-yl)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 106166404
5-chloro-4-N-[2-(cyclopenten-1-yl)ethyl]pyrimidine-4,6-diamine
CID 106812320
4,5-dichloro-2-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,2-diamine
CID 106166084
2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethoxy]ethanol
CID 66277342
6-amino-5-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrimidine-2,4-dione
CID 103844281
N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 103844282
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106177699

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(cyclopenten-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-[2-(cyclopenten-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine (CID 106174357) is 3-N-[2-(cyclopenten-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-[2-(cyclopenten-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-[2-(cyclopenten-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine is Nc1nc(NCCC2=CCCC2)n[nH]1.
What is the InChIKey of 3-N-[2-(cyclopenten-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is IEKDLXBQXBBVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c10-8-12-9(14-13-8)11-6-5-7-3-1-2-4-7/h3H,1-2,4-6H2,(H4,10,11,12,13,14).
What are the key properties of 3-N-[2-(cyclopenten-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine?
3-N-[2-(cyclopenten-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 193.25 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(cyclopenten-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 106174357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).