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

C7H11N7 — CID 79542498

IUPAC5-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
SMILESCc1c(N)nnn1Cc1ncnn1C
InChIInChI=1S/C7H11N7/c1-5-7(8)11-12-14(5)3-6-9-4-10-13(6)2/h4H,3,8H2,1-2H3
InChIKeyOYYHNJYDTCKFNL-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.65
Rot. Bonds2

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

5-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine (PubChem CID 79542498) has the molecular formula C7H11N7 and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
PubChem CID79542498
Molecular FormulaC7H11N7
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name5-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
SMILESCc1c(N)nnn1Cc1ncnn1C
InChIInChI=1S/C7H11N7/c1-5-7(8)11-12-14(5)3-6-9-4-10-13(6)2/h4H,3,8H2,1-2H3
InChIKeyOYYHNJYDTCKFNL-UHFFFAOYSA-N
XLogP-0.65
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The IUPAC name of 5-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine (CID 79542498) is 5-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine.
What is the SMILES notation for 5-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The canonical SMILES for 5-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine is Cc1c(N)nnn1Cc1ncnn1C.
What is the InChIKey of 5-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
The InChIKey is OYYHNJYDTCKFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7/c1-5-7(8)11-12-14(5)3-6-9-4-10-13(6)2/h4H,3,8H2,1-2H3.
What are the key properties of 5-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine?
5-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine has a molecular weight of 193.21 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79542498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).