5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine

C8H15N5 — CID 61319568

IUPAC5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C2CCC(N)CC2)n1
InChIInChI=1S/C8H15N5/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7/h5-6H,1-4,9H2,(H3,10,11,12,13)
InChIKeyVKBMFAZUPSFFPQ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.37
Rot. Bonds1

About 5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine

5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine (PubChem CID 61319568) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine
PubChem CID61319568
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C2CCC(N)CC2)n1
InChIInChI=1S/C8H15N5/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7/h5-6H,1-4,9H2,(H3,10,11,12,13)
InChIKeyVKBMFAZUPSFFPQ-UHFFFAOYSA-N
XLogP0.37
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine (CID 61319568) is 5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(C2CCC(N)CC2)n1.
What is the InChIKey of 5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is VKBMFAZUPSFFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7/h5-6H,1-4,9H2,(H3,10,11,12,13).
What are the key properties of 5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine?
5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 181.24 g/mol, XLogP of 0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 61319568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).