(2,3-dimethylimidazol-4-yl)-(2H-triazol-4-yl)methanamine

C8H12N6 — CID 130518983

IUPAC(2,3-dimethylimidazol-4-yl)-(2H-triazol-4-yl)methanamine
SMILESCc1ncc(C(N)c2cn[nH]n2)n1C
InChIInChI=1S/C8H12N6/c1-5-10-4-7(14(5)2)8(9)6-3-11-13-12-6/h3-4,8H,9H2,1-2H3,(H,11,12,13)
InChIKeyLJINAPPCDKDXCQ-UHFFFAOYSA-N
MW192.23 g/mol
LogP-0.11
Rot. Bonds2

About (2,3-dimethylimidazol-4-yl)-(2H-triazol-4-yl)methanamine

(2,3-dimethylimidazol-4-yl)-(2H-triazol-4-yl)methanamine (PubChem CID 130518983) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is (2,3-dimethylimidazol-4-yl)-(2H-triazol-4-yl)methanamine.

Molecular Properties

Compound Name(2,3-dimethylimidazol-4-yl)-(2H-triazol-4-yl)methanamine
PubChem CID130518983
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name(2,3-dimethylimidazol-4-yl)-(2H-triazol-4-yl)methanamine
SMILESCc1ncc(C(N)c2cn[nH]n2)n1C
InChIInChI=1S/C8H12N6/c1-5-10-4-7(14(5)2)8(9)6-3-11-13-12-6/h3-4,8H,9H2,1-2H3,(H,11,12,13)
InChIKeyLJINAPPCDKDXCQ-UHFFFAOYSA-N
XLogP-0.11
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylimidazol-4-yl)-(2H-triazol-4-yl)methanamine?
The IUPAC name of (2,3-dimethylimidazol-4-yl)-(2H-triazol-4-yl)methanamine (CID 130518983) is (2,3-dimethylimidazol-4-yl)-(2H-triazol-4-yl)methanamine.
What is the SMILES notation for (2,3-dimethylimidazol-4-yl)-(2H-triazol-4-yl)methanamine?
The canonical SMILES for (2,3-dimethylimidazol-4-yl)-(2H-triazol-4-yl)methanamine is Cc1ncc(C(N)c2cn[nH]n2)n1C.
What is the InChIKey of (2,3-dimethylimidazol-4-yl)-(2H-triazol-4-yl)methanamine?
The InChIKey is LJINAPPCDKDXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-5-10-4-7(14(5)2)8(9)6-3-11-13-12-6/h3-4,8H,9H2,1-2H3,(H,11,12,13).
What are the key properties of (2,3-dimethylimidazol-4-yl)-(2H-triazol-4-yl)methanamine?
(2,3-dimethylimidazol-4-yl)-(2H-triazol-4-yl)methanamine has a molecular weight of 192.23 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylimidazol-4-yl)-(2H-triazol-4-yl)methanamine is sourced from PubChem (CID 130518983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).