N-[5-(5-methoxy-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-propan-2-yloxypyridin-2-amine

C16H18N6O2 — CID 155230730

IUPACN-[5-(5-methoxy-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-propan-2-yloxypyridin-2-amine
SMILESCOc1ccc(-c2nc(Nc3cc(OC(C)C)ccn3)n[nH]2)nc1
InChIInChI=1S/C16H18N6O2/c1-10(2)24-11-6-7-17-14(8-11)19-16-20-15(21-22-16)13-5-4-12(23-3)9-18-13/h4-10H,1-3H3,(H2,17,19,20,21,22)
InChIKeyHDWZWOVPYQJYJE-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.80
Rot. Bonds6

About N-[5-(5-methoxy-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-propan-2-yloxypyridin-2-amine

N-[5-(5-methoxy-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-propan-2-yloxypyridin-2-amine (PubChem CID 155230730) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[5-(5-methoxy-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-propan-2-yloxypyridin-2-amine.

Molecular Properties

Compound NameN-[5-(5-methoxy-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-propan-2-yloxypyridin-2-amine
PubChem CID155230730
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-[5-(5-methoxy-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-propan-2-yloxypyridin-2-amine
SMILESCOc1ccc(-c2nc(Nc3cc(OC(C)C)ccn3)n[nH]2)nc1
InChIInChI=1S/C16H18N6O2/c1-10(2)24-11-6-7-17-14(8-11)19-16-20-15(21-22-16)13-5-4-12(23-3)9-18-13/h4-10H,1-3H3,(H2,17,19,20,21,22)
InChIKeyHDWZWOVPYQJYJE-UHFFFAOYSA-N
XLogP2.80
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-(5-methoxy-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-propan-2-yloxypyridin-2-amine with MolForge

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Related Compounds

3-(5-methoxy-2-pyridinyl)-N-(4-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
CID 155230807
4-(5-methoxy-2-pyridinyl)-5-(4-propan-2-yloxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 175923533
4-(5-methoxy-2-pyridinyl)-N-(5-propan-2-yloxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 163268981
5-[3-(fluoromethyl)phenyl]-N-(4-methoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 118135330
N-(4-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 12857633
N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 9247041
N-(3,5-dimethoxyphenyl)-3-[3-(4-methoxyanilino)-1H-1,2,4-triazol-5-yl]pyridin-2-amine
CID 11166007
4-N-(2,4-dimethoxyphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905226
N-(4-methoxyphenyl)-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109221648
N-(3,3-dimethylbutan-2-yl)-4-methoxypyridin-2-amine
CID 115922894
5-N-[2-(4-methoxyphenoxy)ethyl]-3-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112958706
2-N,4-N-bis(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112905183

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methoxy-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-propan-2-yloxypyridin-2-amine?
The IUPAC name of N-[5-(5-methoxy-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-propan-2-yloxypyridin-2-amine (CID 155230730) is N-[5-(5-methoxy-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-propan-2-yloxypyridin-2-amine.
What is the SMILES notation for N-[5-(5-methoxy-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-propan-2-yloxypyridin-2-amine?
The canonical SMILES for N-[5-(5-methoxy-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-propan-2-yloxypyridin-2-amine is COc1ccc(-c2nc(Nc3cc(OC(C)C)ccn3)n[nH]2)nc1.
What is the InChIKey of N-[5-(5-methoxy-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-propan-2-yloxypyridin-2-amine?
The InChIKey is HDWZWOVPYQJYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-10(2)24-11-6-7-17-14(8-11)19-16-20-15(21-22-16)13-5-4-12(23-3)9-18-13/h4-10H,1-3H3,(H2,17,19,20,21,22).
What are the key properties of N-[5-(5-methoxy-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-propan-2-yloxypyridin-2-amine?
N-[5-(5-methoxy-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-propan-2-yloxypyridin-2-amine has a molecular weight of 326.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-methoxy-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-propan-2-yloxypyridin-2-amine is sourced from PubChem (CID 155230730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).