1-ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole

C7H10N6 — CID 70250351

IUPAC1-ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole
SMILESCCn1cnc(-c2cnn(C)n2)n1
InChIInChI=1S/C7H10N6/c1-3-13-5-8-7(11-13)6-4-9-12(2)10-6/h4-5H,3H2,1-2H3
InChIKeyNGHIIXVMLHYFOY-UHFFFAOYSA-N
MW178.20 g/mol
LogP0.09
Rot. Bonds2

About 1-ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole

1-ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole (PubChem CID 70250351) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is 1-ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole
PubChem CID70250351
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name1-ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole
SMILESCCn1cnc(-c2cnn(C)n2)n1
InChIInChI=1S/C7H10N6/c1-3-13-5-8-7(11-13)6-4-9-12(2)10-6/h4-5H,3H2,1-2H3
InChIKeyNGHIIXVMLHYFOY-UHFFFAOYSA-N
XLogP0.09
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,2,4-Triazolyl-1,2,3-triazole
CID 18940321
Triazolyl-1,3,5-triazine
CID 54537303
3-cyclopropyl-5-(2H-triazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 72844530
3-(2-methylpropyl)-5-(2H-triazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 131913414
2-(1-methyl-1H-1,2,4-triazol-3-yl)pyrazine
CID 11252170
2-(2-Methyl-1,2,4-triazol-3-yl)pyrazine
CID 12145992
3,4-Dimethyl-5-(1-methylimidazol-4-yl)-1,2,4-triazole
CID 18726637
3,4-dimethyl-5-(2H-triazol-4-yl)-1,2,4-triazole
CID 18726653
5-Ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole
CID 19771043
5-methyl-3-(2H-triazol-4-yl)-1H-1,2,4-triazole
CID 53884997
1,5-bis(2H-triazol-4-yl)-1,2,4-triazole
CID 54333461
3-(1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole
CID 57048643

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole?
The IUPAC name of 1-ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole (CID 70250351) is 1-ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole.
What is the SMILES notation for 1-ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole?
The canonical SMILES for 1-ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole is CCn1cnc(-c2cnn(C)n2)n1.
What is the InChIKey of 1-ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole?
The InChIKey is NGHIIXVMLHYFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-3-13-5-8-7(11-13)6-4-9-12(2)10-6/h4-5H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole?
1-ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole has a molecular weight of 178.20 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole is sourced from PubChem (CID 70250351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).