3-methyl-N-[5-[5-(oxan-4-yloxy)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-2-amine

C18H20N6O2 — CID 155230299

IUPAC3-methyl-N-[5-[5-(oxan-4-yloxy)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESCc1cccnc1Nc1n[nH]c(-c2ccc(OC3CCOCC3)cn2)n1
InChIInChI=1S/C18H20N6O2/c1-12-3-2-8-19-16(12)21-18-22-17(23-24-18)15-5-4-14(11-20-15)26-13-6-9-25-10-7-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H2,19,21,22,23,24)
InChIKeyLECDILCQLYUBAL-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.87
Rot. Bonds5

About 3-methyl-N-[5-[5-(oxan-4-yloxy)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-2-amine

3-methyl-N-[5-[5-(oxan-4-yloxy)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-2-amine (PubChem CID 155230299) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-methyl-N-[5-[5-(oxan-4-yloxy)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[5-[5-(oxan-4-yloxy)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-2-amine
PubChem CID155230299
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name3-methyl-N-[5-[5-(oxan-4-yloxy)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESCc1cccnc1Nc1n[nH]c(-c2ccc(OC3CCOCC3)cn2)n1
InChIInChI=1S/C18H20N6O2/c1-12-3-2-8-19-16(12)21-18-22-17(23-24-18)15-5-4-14(11-20-15)26-13-6-9-25-10-7-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H2,19,21,22,23,24)
InChIKeyLECDILCQLYUBAL-UHFFFAOYSA-N
XLogP2.87
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-methyl-N-[5-[5-(oxan-4-yloxy)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-2-amine with MolForge

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Related Compounds

2-(2-(6-methylpyridin-3-yloxy)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)-4-methylnicotinonitrile
CID 67098566
Ly-2880070
CID 56968075
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5-methoxy-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611179
6-Methoxy-5-(1-methylpyrazol-4-yl)-3-(2-propan-2-yloxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 162657271
2-methoxy-5-(3-(methoxymethyl)-5-(4-(o-tolyloxy)piperidin-1-yl)-4H-1,2,4-triazol-4-yl)pyridine
CID 11502419
4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-3-yloxyethylamino)pyridine-3-carbonitrile
CID 11949628
(3-Ethoxy-5-pyrimidin-5-yl-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 44404946
4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile
CID 67097557
2-[2-[(6-ethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
CID 67098794
3-[5-(1-cyclopropyl-3,3-difluoropiperidin-4-yl)oxypyridin-2-yl]-N-(3-methylpyridin-2-yl)-1,2,4-thiadiazol-5-amine
CID 155230143
N-(3-methoxy-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
CID 155230217
N-(3-methyl-2-pyridinyl)-3-[5-(oxan-4-yloxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
CID 155230223

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-[5-(oxan-4-yloxy)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-methyl-N-[5-[5-(oxan-4-yloxy)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-2-amine (CID 155230299) is 3-methyl-N-[5-[5-(oxan-4-yloxy)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-methyl-N-[5-[5-(oxan-4-yloxy)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-methyl-N-[5-[5-(oxan-4-yloxy)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-2-amine is Cc1cccnc1Nc1n[nH]c(-c2ccc(OC3CCOCC3)cn2)n1.
What is the InChIKey of 3-methyl-N-[5-[5-(oxan-4-yloxy)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-2-amine?
The InChIKey is LECDILCQLYUBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-12-3-2-8-19-16(12)21-18-22-17(23-24-18)15-5-4-14(11-20-15)26-13-6-9-25-10-7-13/h2-5,8,11,13H,6-7,9-10H2,1H3,(H2,19,21,22,23,24).
What are the key properties of 3-methyl-N-[5-[5-(oxan-4-yloxy)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-2-amine?
3-methyl-N-[5-[5-(oxan-4-yloxy)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-2-amine has a molecular weight of 352.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-[5-(oxan-4-yloxy)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 155230299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).