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

C7H11N7 — CID 130736276

IUPAC4-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESCn1cnnc1NCc1cnnn1C
InChIInChI=1S/C7H11N7/c1-13-5-10-11-7(13)8-3-6-4-9-12-14(6)2/h4-5H,3H2,1-2H3,(H,8,11)
InChIKeyXWHMEFRHAYPVDY-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.44
Rot. Bonds3

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

4-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine (PubChem CID 130736276) has the molecular formula C7H11N7 and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine
PubChem CID130736276
Molecular FormulaC7H11N7
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name4-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine
SMILESCn1cnnc1NCc1cnnn1C
InChIInChI=1S/C7H11N7/c1-13-5-10-11-7(13)8-3-6-4-9-12-14(6)2/h4-5H,3H2,1-2H3,(H,8,11)
InChIKeyXWHMEFRHAYPVDY-UHFFFAOYSA-N
XLogP-0.44
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 4-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine (CID 130736276) is 4-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 4-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine is Cn1cnnc1NCc1cnnn1C.
What is the InChIKey of 4-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is XWHMEFRHAYPVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7/c1-13-5-10-11-7(13)8-3-6-4-9-12-14(6)2/h4-5H,3H2,1-2H3,(H,8,11).
What are the key properties of 4-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine?
4-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 193.21 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 130736276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).