1-methyl-4-(1,2,4-triazol-1-ylmethyl)triazole

C6H8N6 — CID 103866322

IUPAC1-methyl-4-(1,2,4-triazol-1-ylmethyl)triazole
SMILESCn1cc(Cn2cncn2)nn1
InChIInChI=1S/C6H8N6/c1-11-2-6(9-10-11)3-12-5-7-4-8-12/h2,4-5H,3H2,1H3
InChIKeyNAMOHPOYXWJZAE-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.55
Rot. Bonds2

About 1-methyl-4-(1,2,4-triazol-1-ylmethyl)triazole

1-methyl-4-(1,2,4-triazol-1-ylmethyl)triazole (PubChem CID 103866322) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is 1-methyl-4-(1,2,4-triazol-1-ylmethyl)triazole.

Molecular Properties

Compound Name1-methyl-4-(1,2,4-triazol-1-ylmethyl)triazole
PubChem CID103866322
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name1-methyl-4-(1,2,4-triazol-1-ylmethyl)triazole
SMILESCn1cc(Cn2cncn2)nn1
InChIInChI=1S/C6H8N6/c1-11-2-6(9-10-11)3-12-5-7-4-8-12/h2,4-5H,3H2,1H3
InChIKeyNAMOHPOYXWJZAE-UHFFFAOYSA-N
XLogP-0.55
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-Methylimidazol-4-yl)methyl]tetrazole
CID 19771037
1-[(3-Methylimidazol-4-yl)methyl]tetrazole
CID 19771042
5-Ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole
CID 19771043
5-[(4-methyltriazol-1-yl)methyl]-1H-imidazol-2-amine
CID 57914419
4-Ethyl-3-(3-methylimidazol-4-yl)-1,2,4-triazole
CID 69248459
4-Ethyl-3-(1-methylimidazol-4-yl)-1,2,4-triazole
CID 69250857
1-Ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole
CID 70250351
4-(Imidazol-1-ylmethyl)-2-methyltriazole
CID 130588259
2-[4-(Tetrazol-1-ylmethyl)triazol-1-yl]ethanamine
CID 141530368
1-Methyl-3-[2-(4-methyltriazol-2-yl)ethyl]-1,2,4-triazole
CID 146512223
1,4-Dimethylimidazole;1,4-dimethyltriazole
CID 158611748
1-Ethyl-4-(imidazol-1-ylmethyl)triazole
CID 158848349

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,2,4-triazol-1-ylmethyl)triazole?
The IUPAC name of 1-methyl-4-(1,2,4-triazol-1-ylmethyl)triazole (CID 103866322) is 1-methyl-4-(1,2,4-triazol-1-ylmethyl)triazole.
What is the SMILES notation for 1-methyl-4-(1,2,4-triazol-1-ylmethyl)triazole?
The canonical SMILES for 1-methyl-4-(1,2,4-triazol-1-ylmethyl)triazole is Cn1cc(Cn2cncn2)nn1.
What is the InChIKey of 1-methyl-4-(1,2,4-triazol-1-ylmethyl)triazole?
The InChIKey is NAMOHPOYXWJZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6/c1-11-2-6(9-10-11)3-12-5-7-4-8-12/h2,4-5H,3H2,1H3.
What are the key properties of 1-methyl-4-(1,2,4-triazol-1-ylmethyl)triazole?
1-methyl-4-(1,2,4-triazol-1-ylmethyl)triazole has a molecular weight of 164.17 g/mol, XLogP of -0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,2,4-triazol-1-ylmethyl)triazole is sourced from PubChem (CID 103866322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).