6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine

C13H20N6O — CID 64548244

IUPAC6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine
SMILESCC(C)COc1nc(NCCc2ncn[nH]2)ccc1N
InChIInChI=1S/C13H20N6O/c1-9(2)7-20-13-10(14)3-4-11(18-13)15-6-5-12-16-8-17-19-12/h3-4,8-9H,5-7,14H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyVNDZMPVGUOUXJJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.47
Rot. Bonds7

About 6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine

6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine (PubChem CID 64548244) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine
PubChem CID64548244
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine
SMILESCC(C)COc1nc(NCCc2ncn[nH]2)ccc1N
InChIInChI=1S/C13H20N6O/c1-9(2)7-20-13-10(14)3-4-11(18-13)15-6-5-12-16-8-17-19-12/h3-4,8-9H,5-7,14H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyVNDZMPVGUOUXJJ-UHFFFAOYSA-N
XLogP1.47
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine with MolForge

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Related Compounds

3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
CID 43261814
2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 115324708
4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide
CID 60863727
2-N-[2-[ethyl(methyl)amino]ethyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 62636467
6-(2-methylpropoxy)-2-N-(4,4,4-trifluorobutyl)pyridine-2,5-diamine
CID 115515323
2-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 62975170
6-(2-methylpropoxy)-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine
CID 106324765
2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 63820939
3-amino-6-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-2-carbonitrile
CID 103468558
4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzene-1,2,4-triamine
CID 106750886
2-N,2-N-dimethyl-4-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 64829107
3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]-N-cyclopropylpropanamide
CID 79377004

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine?
The IUPAC name of 6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine (CID 64548244) is 6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine is CC(C)COc1nc(NCCc2ncn[nH]2)ccc1N.
What is the InChIKey of 6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine?
The InChIKey is VNDZMPVGUOUXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-9(2)7-20-13-10(14)3-4-11(18-13)15-6-5-12-16-8-17-19-12/h3-4,8-9H,5-7,14H2,1-2H3,(H,15,18)(H,16,17,19).
What are the key properties of 6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine?
6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine has a molecular weight of 276.34 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropoxy)-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 64548244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).