2-methyl-5-(oxolan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine

C19H21N5O2 — CID 134589514

IUPAC2-methyl-5-(oxolan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCc1ncc(OCC2CCCO2)cc1Nc1ncn(-c2ccccc2)n1
InChIInChI=1S/C19H21N5O2/c1-14-18(10-17(11-20-14)26-12-16-8-5-9-25-16)22-19-21-13-24(23-19)15-6-3-2-4-7-15/h2-4,6-7,10-11,13,16H,5,8-9,12H2,1H3,(H,22,23)
InChIKeyDZPMTZFCXYHHSX-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.27
Rot. Bonds6

About 2-methyl-5-(oxolan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine

2-methyl-5-(oxolan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine (PubChem CID 134589514) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-methyl-5-(oxolan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-5-(oxolan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
PubChem CID134589514
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-methyl-5-(oxolan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCc1ncc(OCC2CCCO2)cc1Nc1ncn(-c2ccccc2)n1
InChIInChI=1S/C19H21N5O2/c1-14-18(10-17(11-20-14)26-12-16-8-5-9-25-16)22-19-21-13-24(23-19)15-6-3-2-4-7-15/h2-4,6-7,10-11,13,16H,5,8-9,12H2,1H3,(H,22,23)
InChIKeyDZPMTZFCXYHHSX-UHFFFAOYSA-N
XLogP3.27
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-5-(oxolan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine with MolForge

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Related Compounds

2-methyl-5-(oxan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 134590057
2-methyl-5-(oxan-4-yl)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 134589899
2-methyl-5-[(3R)-oxolan-3-yl]-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 134589760
N-(5-ethoxy-2-methylphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589763
ethane;2-methyl-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine;oxolane
CID 142371455
4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole
CID 95127690
2-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]isoindole-1,3-dione
CID 41444589
1-methyl-4-(oxolan-2-ylmethoxy)pyrazole
CID 116794075
2-bromo-5-(oxolan-2-ylmethoxy)pyridine
CID 104853752
N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589560
5-[[(2R)-oxolan-2-yl]methoxy]pyridin-3-amine
CID 124569752
N-[3-(oxolan-2-ylmethoxy)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42950417

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(oxolan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The IUPAC name of 2-methyl-5-(oxolan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine (CID 134589514) is 2-methyl-5-(oxolan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine.
What is the SMILES notation for 2-methyl-5-(oxolan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The canonical SMILES for 2-methyl-5-(oxolan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine is Cc1ncc(OCC2CCCO2)cc1Nc1ncn(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-5-(oxolan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The InChIKey is DZPMTZFCXYHHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-14-18(10-17(11-20-14)26-12-16-8-5-9-25-16)22-19-21-13-24(23-19)15-6-3-2-4-7-15/h2-4,6-7,10-11,13,16H,5,8-9,12H2,1H3,(H,22,23).
What are the key properties of 2-methyl-5-(oxolan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
2-methyl-5-(oxolan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine has a molecular weight of 351.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(oxolan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine is sourced from PubChem (CID 134589514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).