5-(3-bicyclo[4.1.0]heptanyl)-1H-1,2,4-triazol-3-amine

C9H14N4 — CID 164645808

IUPAC5-(3-bicyclo[4.1.0]heptanyl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C2CCC3CC3C2)n1
InChIInChI=1S/C9H14N4/c10-9-11-8(12-13-9)6-2-1-5-3-7(5)4-6/h5-7H,1-4H2,(H3,10,11,12,13)
InChIKeyRDFWVOPAEWLMGX-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.29
Rot. Bonds1

About 5-(3-bicyclo[4.1.0]heptanyl)-1H-1,2,4-triazol-3-amine

5-(3-bicyclo[4.1.0]heptanyl)-1H-1,2,4-triazol-3-amine (PubChem CID 164645808) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-(3-bicyclo[4.1.0]heptanyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-bicyclo[4.1.0]heptanyl)-1H-1,2,4-triazol-3-amine
PubChem CID164645808
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name5-(3-bicyclo[4.1.0]heptanyl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C2CCC3CC3C2)n1
InChIInChI=1S/C9H14N4/c10-9-11-8(12-13-9)6-2-1-5-3-7(5)4-6/h5-7H,1-4H2,(H3,10,11,12,13)
InChIKeyRDFWVOPAEWLMGX-UHFFFAOYSA-N
XLogP1.29
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine;dihydrochloride
CID 167739892
5-(3-methylcyclohexyl)-1H-1,2,4-triazol-3-amine
CID 127004880
5-[4-(aminomethyl)cyclohexyl]-1H-1,2,4-triazol-3-amine
CID 79531743
5-(thian-4-yl)-1H-1,2,4-triazol-3-amine
CID 115016759
5-(2-adamantyl)-1H-1,2,4-triazol-3-amine
CID 81096033
5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-amine
CID 18811364
5-(5-methyloxolan-2-yl)-1H-1,2,4-triazol-3-amine
CID 81330712
1-[5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793322
5-(4-methylpiperidin-2-yl)-1H-1,2,4-triazol-3-amine
CID 114426843
1-[5-(3-bicyclo[3.1.0]hexanyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800438
(5S)-5-(3-amino-1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol
CID 104911614
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-amino-1H-1,3,5-triazine-4-thione
CID 83241211

Frequently Asked Questions

What is the IUPAC name of 5-(3-bicyclo[4.1.0]heptanyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-bicyclo[4.1.0]heptanyl)-1H-1,2,4-triazol-3-amine (CID 164645808) is 5-(3-bicyclo[4.1.0]heptanyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-bicyclo[4.1.0]heptanyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-bicyclo[4.1.0]heptanyl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(C2CCC3CC3C2)n1.
What is the InChIKey of 5-(3-bicyclo[4.1.0]heptanyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is RDFWVOPAEWLMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c10-9-11-8(12-13-9)6-2-1-5-3-7(5)4-6/h5-7H,1-4H2,(H3,10,11,12,13).
What are the key properties of 5-(3-bicyclo[4.1.0]heptanyl)-1H-1,2,4-triazol-3-amine?
5-(3-bicyclo[4.1.0]heptanyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 178.24 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bicyclo[4.1.0]heptanyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 164645808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).