1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine

C10H18N4 — CID 58883347

IUPAC1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine
SMILESCCNc1ncn(C2CCCCC2)n1
InChIInChI=1S/C10H18N4/c1-2-11-10-12-8-14(13-10)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,11,13)
InChIKeyWLMQPTLTYDILFN-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.22
Rot. Bonds3

About 1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine

1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine (PubChem CID 58883347) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine
PubChem CID58883347
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine
SMILESCCNc1ncn(C2CCCCC2)n1
InChIInChI=1S/C10H18N4/c1-2-11-10-12-8-14(13-10)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,11,13)
InChIKeyWLMQPTLTYDILFN-UHFFFAOYSA-N
XLogP2.22
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine?
The IUPAC name of 1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine (CID 58883347) is 1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine is CCNc1ncn(C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine?
The InChIKey is WLMQPTLTYDILFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-11-10-12-8-14(13-10)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,11,13).
What are the key properties of 1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine?
1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine has a molecular weight of 194.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 58883347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).