2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylpyridine-2,3-diamine

C11H16N6 — CID 106301855

IUPAC2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylpyridine-2,3-diamine
SMILESCCn1cnnc1CNc1nc(C)ccc1N
InChIInChI=1S/C11H16N6/c1-3-17-7-14-16-10(17)6-13-11-9(12)5-4-8(2)15-11/h4-5,7H,3,6,12H2,1-2H3,(H,13,15)
InChIKeyMARHAKAJYKCNLO-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.20
Rot. Bonds4

About 2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylpyridine-2,3-diamine

2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylpyridine-2,3-diamine (PubChem CID 106301855) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylpyridine-2,3-diamine
PubChem CID106301855
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylpyridine-2,3-diamine
SMILESCCn1cnnc1CNc1nc(C)ccc1N
InChIInChI=1S/C11H16N6/c1-3-17-7-14-16-10(17)6-13-11-9(12)5-4-8(2)15-11/h4-5,7H,3,6,12H2,1-2H3,(H,13,15)
InChIKeyMARHAKAJYKCNLO-UHFFFAOYSA-N
XLogP1.20
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylbenzene-1,3-diamine
CID 106302029
2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-methylpyrimidine-4,6-diamine
CID 106304545
2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-nitropyridine-2,6-diamine
CID 106304383
2-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 106304573
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106304580
ethyl 3-amino-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylate
CID 106304050
6-N-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpyrimidine-4,6-diamine
CID 106304567
6-bromo-2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 114170989
3-ethyl-5-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpyrazole-4,5-diamine
CID 106301851
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-iodobenzene-1,4-diamine
CID 114170703
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine
CID 79256368
6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine
CID 79021830

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylpyridine-2,3-diamine (CID 106301855) is 2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylpyridine-2,3-diamine is CCn1cnnc1CNc1nc(C)ccc1N.
What is the InChIKey of 2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylpyridine-2,3-diamine?
The InChIKey is MARHAKAJYKCNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-3-17-7-14-16-10(17)6-13-11-9(12)5-4-8(2)15-11/h4-5,7H,3,6,12H2,1-2H3,(H,13,15).
What are the key properties of 2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylpyridine-2,3-diamine?
2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylpyridine-2,3-diamine has a molecular weight of 232.29 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylpyridine-2,3-diamine is sourced from PubChem (CID 106301855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).