1-ethyl-4-(1-propyltriazol-4-yl)triazole

C9H14N6 — CID 175609730

IUPAC1-ethyl-4-(1-propyltriazol-4-yl)triazole
SMILESCCCn1cc(-c2cn(CC)nn2)nn1
InChIInChI=1S/C9H14N6/c1-3-5-15-7-9(11-13-15)8-6-14(4-2)12-10-8/h6-7H,3-5H2,1-2H3
InChIKeyDONOYPQQWQOWNY-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.97
Rot. Bonds4

About 1-ethyl-4-(1-propyltriazol-4-yl)triazole

1-ethyl-4-(1-propyltriazol-4-yl)triazole (PubChem CID 175609730) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-ethyl-4-(1-propyltriazol-4-yl)triazole.

Molecular Properties

Compound Name1-ethyl-4-(1-propyltriazol-4-yl)triazole
PubChem CID175609730
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name1-ethyl-4-(1-propyltriazol-4-yl)triazole
SMILESCCCn1cc(-c2cn(CC)nn2)nn1
InChIInChI=1S/C9H14N6/c1-3-5-15-7-9(11-13-15)8-6-14(4-2)12-10-8/h6-7H,3-5H2,1-2H3
InChIKeyDONOYPQQWQOWNY-UHFFFAOYSA-N
XLogP0.97
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(1-propyltriazol-4-yl)triazole?
The IUPAC name of 1-ethyl-4-(1-propyltriazol-4-yl)triazole (CID 175609730) is 1-ethyl-4-(1-propyltriazol-4-yl)triazole.
What is the SMILES notation for 1-ethyl-4-(1-propyltriazol-4-yl)triazole?
The canonical SMILES for 1-ethyl-4-(1-propyltriazol-4-yl)triazole is CCCn1cc(-c2cn(CC)nn2)nn1.
What is the InChIKey of 1-ethyl-4-(1-propyltriazol-4-yl)triazole?
The InChIKey is DONOYPQQWQOWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-3-5-15-7-9(11-13-15)8-6-14(4-2)12-10-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-ethyl-4-(1-propyltriazol-4-yl)triazole?
1-ethyl-4-(1-propyltriazol-4-yl)triazole has a molecular weight of 206.25 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(1-propyltriazol-4-yl)triazole is sourced from PubChem (CID 175609730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).