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

C8H12N6 — CID 165473765

IUPAC5-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-amine
SMILESCc1cc(N)nn1Cc1nncn1C
InChIInChI=1S/C8H12N6/c1-6-3-7(9)12-14(6)4-8-11-10-5-13(8)2/h3,5H,4H2,1-2H3,(H2,9,12)
InChIKeyLJIDRWITGUGRIF-UHFFFAOYSA-N
MW192.23 g/mol
LogP-0.05
Rot. Bonds2

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

5-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-amine (PubChem CID 165473765) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 5-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-amine
PubChem CID165473765
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name5-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-amine
SMILESCc1cc(N)nn1Cc1nncn1C
InChIInChI=1S/C8H12N6/c1-6-3-7(9)12-14(6)4-8-11-10-5-13(8)2/h3,5H,4H2,1-2H3,(H2,9,12)
InChIKeyLJIDRWITGUGRIF-UHFFFAOYSA-N
XLogP-0.05
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-amine?
The IUPAC name of 5-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-amine (CID 165473765) is 5-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 5-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-amine is Cc1cc(N)nn1Cc1nncn1C.
What is the InChIKey of 5-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-amine?
The InChIKey is LJIDRWITGUGRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-6-3-7(9)12-14(6)4-8-11-10-5-13(8)2/h3,5H,4H2,1-2H3,(H2,9,12).
What are the key properties of 5-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-amine?
5-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-amine has a molecular weight of 192.23 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 165473765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).