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

C7H11N7 — CID 130644739

IUPAC5-methyl-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazol-3-amine
SMILESCc1nc(NCc2cnnn2C)n[nH]1
InChIInChI=1S/C7H11N7/c1-5-10-7(12-11-5)8-3-6-4-9-13-14(6)2/h4H,3H2,1-2H3,(H2,8,10,11,12)
InChIKeyIIMKMASKOGKMQD-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.15
Rot. Bonds3

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

5-methyl-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazol-3-amine (PubChem CID 130644739) has the molecular formula C7H11N7 and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-methyl-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazol-3-amine
PubChem CID130644739
Molecular FormulaC7H11N7
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name5-methyl-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazol-3-amine
SMILESCc1nc(NCc2cnnn2C)n[nH]1
InChIInChI=1S/C7H11N7/c1-5-10-7(12-11-5)8-3-6-4-9-13-14(6)2/h4H,3H2,1-2H3,(H2,8,10,11,12)
InChIKeyIIMKMASKOGKMQD-UHFFFAOYSA-N
XLogP-0.15
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-methyl-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazol-3-amine (CID 130644739) is 5-methyl-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-methyl-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-methyl-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazol-3-amine is Cc1nc(NCc2cnnn2C)n[nH]1.
What is the InChIKey of 5-methyl-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is IIMKMASKOGKMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7/c1-5-10-7(12-11-5)8-3-6-4-9-13-14(6)2/h4H,3H2,1-2H3,(H2,8,10,11,12).
What are the key properties of 5-methyl-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazol-3-amine?
5-methyl-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 193.21 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 130644739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).