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

C8H12N6 — CID 146512223

IUPAC1-methyl-3-[2-(4-methyltriazol-2-yl)ethyl]-1,2,4-triazole
SMILESCc1cnn(CCc2ncn(C)n2)n1
InChIInChI=1S/C8H12N6/c1-7-5-10-14(11-7)4-3-8-9-6-13(2)12-8/h5-6H,3-4H2,1-2H3
InChIKeyNSHQXYGBDOYJMK-UHFFFAOYSA-N
MW192.23 g/mol
LogP-0.04
Rot. Bonds3

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

1-methyl-3-[2-(4-methyltriazol-2-yl)ethyl]-1,2,4-triazole (PubChem CID 146512223) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-methyl-3-[2-(4-methyltriazol-2-yl)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-3-[2-(4-methyltriazol-2-yl)ethyl]-1,2,4-triazole
PubChem CID146512223
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name1-methyl-3-[2-(4-methyltriazol-2-yl)ethyl]-1,2,4-triazole
SMILESCc1cnn(CCc2ncn(C)n2)n1
InChIInChI=1S/C8H12N6/c1-7-5-10-14(11-7)4-3-8-9-6-13(2)12-8/h5-6H,3-4H2,1-2H3
InChIKeyNSHQXYGBDOYJMK-UHFFFAOYSA-N
XLogP-0.04
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(4-methyltriazol-2-yl)ethyl]-1,2,4-triazole?
The IUPAC name of 1-methyl-3-[2-(4-methyltriazol-2-yl)ethyl]-1,2,4-triazole (CID 146512223) is 1-methyl-3-[2-(4-methyltriazol-2-yl)ethyl]-1,2,4-triazole.
What is the SMILES notation for 1-methyl-3-[2-(4-methyltriazol-2-yl)ethyl]-1,2,4-triazole?
The canonical SMILES for 1-methyl-3-[2-(4-methyltriazol-2-yl)ethyl]-1,2,4-triazole is Cc1cnn(CCc2ncn(C)n2)n1.
What is the InChIKey of 1-methyl-3-[2-(4-methyltriazol-2-yl)ethyl]-1,2,4-triazole?
The InChIKey is NSHQXYGBDOYJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-7-5-10-14(11-7)4-3-8-9-6-13(2)12-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-methyl-3-[2-(4-methyltriazol-2-yl)ethyl]-1,2,4-triazole?
1-methyl-3-[2-(4-methyltriazol-2-yl)ethyl]-1,2,4-triazole has a molecular weight of 192.23 g/mol, XLogP of -0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(4-methyltriazol-2-yl)ethyl]-1,2,4-triazole is sourced from PubChem (CID 146512223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).