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

C20H23N5O2 — CID 134590057

IUPAC2-methyl-5-(oxan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCc1ncc(OCC2CCCCO2)cc1Nc1ncn(-c2ccccc2)n1
InChIInChI=1S/C20H23N5O2/c1-15-19(11-18(12-21-15)27-13-17-9-5-6-10-26-17)23-20-22-14-25(24-20)16-7-3-2-4-8-16/h2-4,7-8,11-12,14,17H,5-6,9-10,13H2,1H3,(H,23,24)
InChIKeyATPKNFQOTQVKEZ-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.66
Rot. Bonds6

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

2-methyl-5-(oxan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine (PubChem CID 134590057) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-methyl-5-(oxan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-5-(oxan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
PubChem CID134590057
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-methyl-5-(oxan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCc1ncc(OCC2CCCCO2)cc1Nc1ncn(-c2ccccc2)n1
InChIInChI=1S/C20H23N5O2/c1-15-19(11-18(12-21-15)27-13-17-9-5-6-10-26-17)23-20-22-14-25(24-20)16-7-3-2-4-8-16/h2-4,7-8,11-12,14,17H,5-6,9-10,13H2,1H3,(H,23,24)
InChIKeyATPKNFQOTQVKEZ-UHFFFAOYSA-N
XLogP3.66
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-5-(oxolan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 134589514
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
1-methyl-4-(oxan-2-ylmethoxy)pyrazole
CID 116793926
2-[(4-benzylphenoxy)methyl]oxane
CID 173143012
N-(3-cyclopropyloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589560
4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole
CID 95127690
3-cyclopropyl-N-[2-(oxan-2-ylmethoxy)phenyl]-1-phenylpyrazole-5-carboxamide
CID 166194099
4,6-dimethyl-2-[4-(oxan-2-ylmethoxy)phenyl]sulfanylpyrimidine
CID 3327394
2-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]isoindole-1,3-dione
CID 41444589

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(oxan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The IUPAC name of 2-methyl-5-(oxan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine (CID 134590057) is 2-methyl-5-(oxan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine.
What is the SMILES notation for 2-methyl-5-(oxan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The canonical SMILES for 2-methyl-5-(oxan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine is Cc1ncc(OCC2CCCCO2)cc1Nc1ncn(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-5-(oxan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The InChIKey is ATPKNFQOTQVKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-15-19(11-18(12-21-15)27-13-17-9-5-6-10-26-17)23-20-22-14-25(24-20)16-7-3-2-4-8-16/h2-4,7-8,11-12,14,17H,5-6,9-10,13H2,1H3,(H,23,24).
What are the key properties of 2-methyl-5-(oxan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine?
2-methyl-5-(oxan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine has a molecular weight of 365.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(oxan-2-ylmethoxy)-N-(1-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine is sourced from PubChem (CID 134590057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).