4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine

C10H18N4 — CID 61279978

IUPAC4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESCCc1nc(C2CCC(N)CC2)n[nH]1
InChIInChI=1S/C10H18N4/c1-2-9-12-10(14-13-9)7-3-5-8(11)6-4-7/h7-8H,2-6,11H2,1H3,(H,12,13,14)
InChIKeyUKQIUFUGRJAYLE-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.35
Rot. Bonds2

About 4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine

4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine (PubChem CID 61279978) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
PubChem CID61279978
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESCCc1nc(C2CCC(N)CC2)n[nH]1
InChIInChI=1S/C10H18N4/c1-2-9-12-10(14-13-9)7-3-5-8(11)6-4-7/h7-8H,2-6,11H2,1H3,(H,12,13,14)
InChIKeyUKQIUFUGRJAYLE-UHFFFAOYSA-N
XLogP1.35
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine (CID 61279978) is 4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine is CCc1nc(C2CCC(N)CC2)n[nH]1.
What is the InChIKey of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The InChIKey is UKQIUFUGRJAYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-9-12-10(14-13-9)7-3-5-8(11)6-4-7/h7-8H,2-6,11H2,1H3,(H,12,13,14).
What are the key properties of 4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine?
4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 61279978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).