3-N-(3,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazole-3,5-diamine

C9H12N6 — CID 70093872

IUPAC3-N-(3,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCc1ccc(C)c(Nc2n[nH]c(N)n2)n1
InChIInChI=1S/C9H12N6/c1-5-3-4-6(2)11-7(5)12-9-13-8(10)14-15-9/h3-4H,1-2H3,(H4,10,11,12,13,14,15)
InChIKeyIDFPNAZGKZNYQY-UHFFFAOYSA-N
MW204.24 g/mol
LogP1.14
Rot. Bonds2

About 3-N-(3,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazole-3,5-diamine

3-N-(3,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 70093872) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 3-N-(3,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(3,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID70093872
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name3-N-(3,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazole-3,5-diamine
SMILESCc1ccc(C)c(Nc2n[nH]c(N)n2)n1
InChIInChI=1S/C9H12N6/c1-5-3-4-6(2)11-7(5)12-9-13-8(10)14-15-9/h3-4H,1-2H3,(H4,10,11,12,13,14,15)
InChIKeyIDFPNAZGKZNYQY-UHFFFAOYSA-N
XLogP1.14
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(3,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazole-3,5-diamine (CID 70093872) is 3-N-(3,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(3,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(3,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazole-3,5-diamine is Cc1ccc(C)c(Nc2n[nH]c(N)n2)n1.
What is the InChIKey of 3-N-(3,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is IDFPNAZGKZNYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-5-3-4-6(2)11-7(5)12-9-13-8(10)14-15-9/h3-4H,1-2H3,(H4,10,11,12,13,14,15).
What are the key properties of 3-N-(3,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazole-3,5-diamine?
3-N-(3,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 204.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,6-dimethyl-2-pyridinyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 70093872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).