3,4-dimethylidene-5-(2-methyl-1,2,4-triazol-3-yl)pyridin-2-amine

C10H11N5 — CID 123878120

IUPAC3,4-dimethylidene-5-(2-methyl-1,2,4-triazol-3-yl)pyridin-2-amine
SMILESC=c1c(-c2ncnn2C)cnc(N)c1=C
InChIInChI=1S/C10H11N5/c1-6-7(2)9(11)12-4-8(6)10-13-5-14-15(10)3/h4-5H,1-2H2,3H3,(H2,11,12)
InChIKeyZNHLJCUKJXLHBF-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.72
Rot. Bonds1

About 3,4-dimethylidene-5-(2-methyl-1,2,4-triazol-3-yl)pyridin-2-amine

3,4-dimethylidene-5-(2-methyl-1,2,4-triazol-3-yl)pyridin-2-amine (PubChem CID 123878120) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 3,4-dimethylidene-5-(2-methyl-1,2,4-triazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,4-dimethylidene-5-(2-methyl-1,2,4-triazol-3-yl)pyridin-2-amine
PubChem CID123878120
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name3,4-dimethylidene-5-(2-methyl-1,2,4-triazol-3-yl)pyridin-2-amine
SMILESC=c1c(-c2ncnn2C)cnc(N)c1=C
InChIInChI=1S/C10H11N5/c1-6-7(2)9(11)12-4-8(6)10-13-5-14-15(10)3/h4-5H,1-2H2,3H3,(H2,11,12)
InChIKeyZNHLJCUKJXLHBF-UHFFFAOYSA-N
XLogP-0.72
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)aniline
CID 62696052
ethane;2-methyl-1,2,4-triazol-3-amine
CID 167473762
3-(2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 62696246
5-bromo-2-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole
CID 53401168
2-[4-(2-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine
CID 62694910
5-(2-methyl-1,2,4-triazol-3-yl)-1H-pyrazine-2-thione
CID 137195872
5-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)benzaldehyde
CID 58542031
3-(4-chloro-1-methylpyrazol-5-yl)-5-methylpyridin-2-amine
CID 114663348
6-amino-5-methylpyridine-3-thiol
CID 90292005
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine
CID 102989027
5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole
CID 90142163
methyl 5-fluoro-2-(2-methyl-1,2,4-triazol-3-yl)benzoate
CID 58541909

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylidene-5-(2-methyl-1,2,4-triazol-3-yl)pyridin-2-amine?
The IUPAC name of 3,4-dimethylidene-5-(2-methyl-1,2,4-triazol-3-yl)pyridin-2-amine (CID 123878120) is 3,4-dimethylidene-5-(2-methyl-1,2,4-triazol-3-yl)pyridin-2-amine.
What is the SMILES notation for 3,4-dimethylidene-5-(2-methyl-1,2,4-triazol-3-yl)pyridin-2-amine?
The canonical SMILES for 3,4-dimethylidene-5-(2-methyl-1,2,4-triazol-3-yl)pyridin-2-amine is C=c1c(-c2ncnn2C)cnc(N)c1=C.
What is the InChIKey of 3,4-dimethylidene-5-(2-methyl-1,2,4-triazol-3-yl)pyridin-2-amine?
The InChIKey is ZNHLJCUKJXLHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-6-7(2)9(11)12-4-8(6)10-13-5-14-15(10)3/h4-5H,1-2H2,3H3,(H2,11,12).
What are the key properties of 3,4-dimethylidene-5-(2-methyl-1,2,4-triazol-3-yl)pyridin-2-amine?
3,4-dimethylidene-5-(2-methyl-1,2,4-triazol-3-yl)pyridin-2-amine has a molecular weight of 201.23 g/mol, XLogP of -0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylidene-5-(2-methyl-1,2,4-triazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 123878120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).