5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine

C9H15N7 — CID 79542440

IUPAC5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
SMILESCCc1c(N)nnn1Cc1ncnn1CC
InChIInChI=1S/C9H15N7/c1-3-7-9(10)13-14-16(7)5-8-11-6-12-15(8)4-2/h6H,3-5,10H2,1-2H3
InChIKeyHKXGLQFRAVZDIQ-UHFFFAOYSA-N
MW221.27 g/mol
LogP0.08
Rot. Bonds4

About 5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine

5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine (PubChem CID 79542440) has the molecular formula C9H15N7 and a molecular weight of 221.27 g/mol. Its IUPAC name is 5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
PubChem CID79542440
Molecular FormulaC9H15N7
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
SMILESCCc1c(N)nnn1Cc1ncnn1CC
InChIInChI=1S/C9H15N7/c1-3-7-9(10)13-14-16(7)5-8-11-6-12-15(8)4-2/h6H,3-5,10H2,1-2H3
InChIKeyHKXGLQFRAVZDIQ-UHFFFAOYSA-N
XLogP0.08
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-yltriazol-4-amine
CID 79541885
5-Methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
CID 79541935
5-Methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-amine
CID 79541936
5-Propan-2-yl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
CID 79541977
5-Propyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
CID 79541993
5-Ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]triazol-4-amine
CID 79542046
1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-5-methyltriazol-4-amine
CID 79542124
1-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-5-ethyltriazol-4-amine
CID 79542148
5-Ethyl-1-[(1-ethylimidazol-2-yl)methyl]triazol-4-amine
CID 79542431
5-Methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
CID 79542498
5-Ethyl-1-(2-imidazol-1-ylethyl)triazol-4-amine
CID 79542530
5-Ethyl-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
CID 79542536

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The IUPAC name of 5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine (CID 79542440) is 5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine.
What is the SMILES notation for 5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The canonical SMILES for 5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine is CCc1c(N)nnn1Cc1ncnn1CC.
What is the InChIKey of 5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The InChIKey is HKXGLQFRAVZDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7/c1-3-7-9(10)13-14-16(7)5-8-11-6-12-15(8)4-2/h6H,3-5,10H2,1-2H3.
What are the key properties of 5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine has a molecular weight of 221.27 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79542440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).