1-cyclohexyl-3-N-ethyl-1,2,4-triazole-3,5-diamine

C10H19N5 — CID 58976521

IUPAC1-cyclohexyl-3-N-ethyl-1,2,4-triazole-3,5-diamine
SMILESCCNc1nc(N)n(C2CCCCC2)n1
InChIInChI=1S/C10H19N5/c1-2-12-10-13-9(11)15(14-10)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H3,11,12,13,14)
InChIKeySKVFOQCNAPJGHA-UHFFFAOYSA-N
MW209.30 g/mol
LogP1.80
Rot. Bonds3

About 1-cyclohexyl-3-N-ethyl-1,2,4-triazole-3,5-diamine

1-cyclohexyl-3-N-ethyl-1,2,4-triazole-3,5-diamine (PubChem CID 58976521) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 1-cyclohexyl-3-N-ethyl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name1-cyclohexyl-3-N-ethyl-1,2,4-triazole-3,5-diamine
PubChem CID58976521
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name1-cyclohexyl-3-N-ethyl-1,2,4-triazole-3,5-diamine
SMILESCCNc1nc(N)n(C2CCCCC2)n1
InChIInChI=1S/C10H19N5/c1-2-12-10-13-9(11)15(14-10)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H3,11,12,13,14)
InChIKeySKVFOQCNAPJGHA-UHFFFAOYSA-N
XLogP1.80
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dicyclohexyltetrazol-5-amine
CID 2054813
1-cyclohexyl-1H-1,2,4-triazol-3-amine
CID 60911959
1H-1,2,4-Triazole-3,5-diamine, 1-dodecyl-
CID 11129290
1-Cyclohexyl-5-(ethylamino)-1H-tetrazole hydrochloride
CID 3031885
1-Cyclohexyl-5-methylamino-1H-tetrazole hydrochloride
CID 3031889
5-(Ethylamino)-1-heptyl-1H-tetrazole hydrochloride
CID 3031911
2-(3-Fluorocyclohexyl)-1,2,4-triazol-3-amine
CID 171774562
3,5-Di-amino-1-decyl-1,2,4-triazole
CID 85885090
N3-Cyclohexyl-1H-1,2,4-triazole-3,5-diamine
CID 14547512
N-(cyclohexylmethyl)-1-ethyl-1,2,4-triazol-3-amine
CID 58883290
2-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine
CID 58883308
1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine
CID 58883347

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-N-ethyl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 1-cyclohexyl-3-N-ethyl-1,2,4-triazole-3,5-diamine (CID 58976521) is 1-cyclohexyl-3-N-ethyl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 1-cyclohexyl-3-N-ethyl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 1-cyclohexyl-3-N-ethyl-1,2,4-triazole-3,5-diamine is CCNc1nc(N)n(C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-3-N-ethyl-1,2,4-triazole-3,5-diamine?
The InChIKey is SKVFOQCNAPJGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-2-12-10-13-9(11)15(14-10)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H3,11,12,13,14).
What are the key properties of 1-cyclohexyl-3-N-ethyl-1,2,4-triazole-3,5-diamine?
1-cyclohexyl-3-N-ethyl-1,2,4-triazole-3,5-diamine has a molecular weight of 209.30 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-N-ethyl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 58976521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).