5-ethyl-1-(2-imidazol-1-ylethyl)triazol-4-amine

C9H14N6 — CID 79542530

IUPAC5-ethyl-1-(2-imidazol-1-ylethyl)triazol-4-amine
SMILESCCc1c(N)nnn1CCn1ccnc1
InChIInChI=1S/C9H14N6/c1-2-8-9(10)12-13-15(8)6-5-14-4-3-11-7-14/h3-4,7H,2,5-6,10H2,1H3
InChIKeyFSYNOBCNJQSMKP-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.32
Rot. Bonds4

About 5-ethyl-1-(2-imidazol-1-ylethyl)triazol-4-amine

5-ethyl-1-(2-imidazol-1-ylethyl)triazol-4-amine (PubChem CID 79542530) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-ethyl-1-(2-imidazol-1-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-(2-imidazol-1-ylethyl)triazol-4-amine
PubChem CID79542530
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name5-ethyl-1-(2-imidazol-1-ylethyl)triazol-4-amine
SMILESCCc1c(N)nnn1CCn1ccnc1
InChIInChI=1S/C9H14N6/c1-2-8-9(10)12-13-15(8)6-5-14-4-3-11-7-14/h3-4,7H,2,5-6,10H2,1H3
InChIKeyFSYNOBCNJQSMKP-UHFFFAOYSA-N
XLogP0.32
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-imidazol-1-ylethyl)triazol-4-amine?
The IUPAC name of 5-ethyl-1-(2-imidazol-1-ylethyl)triazol-4-amine (CID 79542530) is 5-ethyl-1-(2-imidazol-1-ylethyl)triazol-4-amine.
What is the SMILES notation for 5-ethyl-1-(2-imidazol-1-ylethyl)triazol-4-amine?
The canonical SMILES for 5-ethyl-1-(2-imidazol-1-ylethyl)triazol-4-amine is CCc1c(N)nnn1CCn1ccnc1.
What is the InChIKey of 5-ethyl-1-(2-imidazol-1-ylethyl)triazol-4-amine?
The InChIKey is FSYNOBCNJQSMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-2-8-9(10)12-13-15(8)6-5-14-4-3-11-7-14/h3-4,7H,2,5-6,10H2,1H3.
What are the key properties of 5-ethyl-1-(2-imidazol-1-ylethyl)triazol-4-amine?
5-ethyl-1-(2-imidazol-1-ylethyl)triazol-4-amine has a molecular weight of 206.25 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-imidazol-1-ylethyl)triazol-4-amine is sourced from PubChem (CID 79542530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).