2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,4-diamine

C9H12N6 — CID 62117304

IUPAC2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,4-diamine
SMILESCn1cnnc1CNc1cc(N)ccn1
InChIInChI=1S/C9H12N6/c1-15-6-13-14-9(15)5-12-8-4-7(10)2-3-11-8/h2-4,6H,5H2,1H3,(H3,10,11,12)
InChIKeyXTOXAOYWZSCMFF-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.40
Rot. Bonds3

About 2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,4-diamine

2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,4-diamine (PubChem CID 62117304) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,4-diamine
PubChem CID62117304
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,4-diamine
SMILESCn1cnnc1CNc1cc(N)ccn1
InChIInChI=1S/C9H12N6/c1-15-6-13-14-9(15)5-12-8-4-7(10)2-3-11-8/h2-4,6H,5H2,1H3,(H3,10,11,12)
InChIKeyXTOXAOYWZSCMFF-UHFFFAOYSA-N
XLogP0.40
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 61239786
2-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzene-1,4-diamine
CID 62118995
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 78955166
4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957442
4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile
CID 62924484
1-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
CID 62133277
2-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-sulfonamide
CID 55037929
3-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66276447
(4-methyl-1,2,4-triazol-3-yl)methylhydrazine
CID 130979305
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 60754232
4-amino-2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 61126178
4,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3,5-triazin-2-amine
CID 62869757

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,4-diamine?
The IUPAC name of 2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,4-diamine (CID 62117304) is 2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,4-diamine?
The canonical SMILES for 2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,4-diamine is Cn1cnnc1CNc1cc(N)ccn1.
What is the InChIKey of 2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,4-diamine?
The InChIKey is XTOXAOYWZSCMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-15-6-13-14-9(15)5-12-8-4-7(10)2-3-11-8/h2-4,6H,5H2,1H3,(H3,10,11,12).
What are the key properties of 2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,4-diamine?
2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,4-diamine has a molecular weight of 204.24 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,4-diamine is sourced from PubChem (CID 62117304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).