N-(3-methyl-5-propan-2-yloxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine

C17H19N5O — CID 134589901

IUPACN-(3-methyl-5-propan-2-yloxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine
SMILESCc1cc(Nc2ncn(-c3cccnc3)n2)cc(OC(C)C)c1
InChIInChI=1S/C17H19N5O/c1-12(2)23-16-8-13(3)7-14(9-16)20-17-19-11-22(21-17)15-5-4-6-18-10-15/h4-12H,1-3H3,(H,20,21)
InChIKeyWUBSTFGKGCUKFQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.50
Rot. Bonds5

About N-(3-methyl-5-propan-2-yloxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine

N-(3-methyl-5-propan-2-yloxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine (PubChem CID 134589901) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(3-methyl-5-propan-2-yloxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(3-methyl-5-propan-2-yloxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine
PubChem CID134589901
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-(3-methyl-5-propan-2-yloxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine
SMILESCc1cc(Nc2ncn(-c3cccnc3)n2)cc(OC(C)C)c1
InChIInChI=1S/C17H19N5O/c1-12(2)23-16-8-13(3)7-14(9-16)20-17-19-11-22(21-17)15-5-4-6-18-10-15/h4-12H,1-3H3,(H,20,21)
InChIKeyWUBSTFGKGCUKFQ-UHFFFAOYSA-N
XLogP3.50
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 11770857
1-(3-fluorophenyl)-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 134589818
N-[3-(2,2-difluoroethoxy)-5-methylphenyl]-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 134589693
2-methyl-N-[3-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]propanamide
CID 134589530
N-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589402
4-[(1-phenyl-1,2,4-triazol-3-yl)amino]-2-propan-2-yloxybenzonitrile
CID 134589185
1-(3,4-difluorophenyl)-N-[3-methyl-5-(2-pyrazol-1-ylethoxy)phenyl]-1,2,4-triazol-3-amine;molecular hydrogen
CID 159223792
3-bromo-N-(1-pyridin-3-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide
CID 100646592
1-(3,4-difluorophenyl)-N-[3-methyl-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-amine
CID 139297585
1-(3-ethoxyphenyl)-N-(3-methoxyphenyl)-1,2,4-triazol-3-amine
CID 134605893
3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80721970
N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-ethyl-5-propan-2-yloxypyridin-3-amine
CID 134589963

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-5-propan-2-yloxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine?
The IUPAC name of N-(3-methyl-5-propan-2-yloxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine (CID 134589901) is N-(3-methyl-5-propan-2-yloxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(3-methyl-5-propan-2-yloxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine?
The canonical SMILES for N-(3-methyl-5-propan-2-yloxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine is Cc1cc(Nc2ncn(-c3cccnc3)n2)cc(OC(C)C)c1.
What is the InChIKey of N-(3-methyl-5-propan-2-yloxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine?
The InChIKey is WUBSTFGKGCUKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12(2)23-16-8-13(3)7-14(9-16)20-17-19-11-22(21-17)15-5-4-6-18-10-15/h4-12H,1-3H3,(H,20,21).
What are the key properties of N-(3-methyl-5-propan-2-yloxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine?
N-(3-methyl-5-propan-2-yloxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine has a molecular weight of 309.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-5-propan-2-yloxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 134589901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).