N-[5-(4-methoxyphenyl)-1,3-dihydro-1,2,4-triazol-2-yl]-1-(oxan-2-yl)indazol-5-amine

C21H24N6O2 — CID 166559337

IUPACN-[5-(4-methoxyphenyl)-1,3-dihydro-1,2,4-triazol-2-yl]-1-(oxan-2-yl)indazol-5-amine
SMILESCOc1ccc(C2=NCN(Nc3ccc4c(cnn4C4CCCCO4)c3)N2)cc1
InChIInChI=1S/C21H24N6O2/c1-28-18-8-5-15(6-9-18)21-22-14-26(25-21)24-17-7-10-19-16(12-17)13-23-27(19)20-4-2-3-11-29-20/h5-10,12-13,20,24H,2-4,11,14H2,1H3,(H,22,25)
InChIKeyIVCRTUKEHRBQTC-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.30
Rot. Bonds5

About N-[5-(4-methoxyphenyl)-1,3-dihydro-1,2,4-triazol-2-yl]-1-(oxan-2-yl)indazol-5-amine

N-[5-(4-methoxyphenyl)-1,3-dihydro-1,2,4-triazol-2-yl]-1-(oxan-2-yl)indazol-5-amine (PubChem CID 166559337) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-1,3-dihydro-1,2,4-triazol-2-yl]-1-(oxan-2-yl)indazol-5-amine.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-1,3-dihydro-1,2,4-triazol-2-yl]-1-(oxan-2-yl)indazol-5-amine
PubChem CID166559337
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-[5-(4-methoxyphenyl)-1,3-dihydro-1,2,4-triazol-2-yl]-1-(oxan-2-yl)indazol-5-amine
SMILESCOc1ccc(C2=NCN(Nc3ccc4c(cnn4C4CCCCO4)c3)N2)cc1
InChIInChI=1S/C21H24N6O2/c1-28-18-8-5-15(6-9-18)21-22-14-26(25-21)24-17-7-10-19-16(12-17)13-23-27(19)20-4-2-3-11-29-20/h5-10,12-13,20,24H,2-4,11,14H2,1H3,(H,22,25)
InChIKeyIVCRTUKEHRBQTC-UHFFFAOYSA-N
XLogP3.30
TPSA75.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-(4-methoxyphenyl)-1,3-dihydro-1,2,4-triazol-2-yl]-1-(oxan-2-yl)indazol-5-amine with MolForge

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Related Compounds

methyl 2-[4-[2-(oxan-2-yl)-5-[[1-(oxan-2-yl)indazol-5-yl]amino]-1,2,4-triazol-3-yl]phenoxy]acetate
CID 139348300
5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole
CID 165137431
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
1-(oxan-2-yl)indazole-5-carbonitrile
CID 58125480
1-[(2S)-oxan-2-yl]indazole
CID 124562379
6-(3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 118893705
1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole
CID 178036760
5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol
CID 143864203
5-methyl-1-(oxan-2-yl)indazol-6-ol
CID 137284218
2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone
CID 170560839
5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
CID 124518406
6-bromo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228962

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-1,3-dihydro-1,2,4-triazol-2-yl]-1-(oxan-2-yl)indazol-5-amine?
The IUPAC name of N-[5-(4-methoxyphenyl)-1,3-dihydro-1,2,4-triazol-2-yl]-1-(oxan-2-yl)indazol-5-amine (CID 166559337) is N-[5-(4-methoxyphenyl)-1,3-dihydro-1,2,4-triazol-2-yl]-1-(oxan-2-yl)indazol-5-amine.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-1,3-dihydro-1,2,4-triazol-2-yl]-1-(oxan-2-yl)indazol-5-amine?
The canonical SMILES for N-[5-(4-methoxyphenyl)-1,3-dihydro-1,2,4-triazol-2-yl]-1-(oxan-2-yl)indazol-5-amine is COc1ccc(C2=NCN(Nc3ccc4c(cnn4C4CCCCO4)c3)N2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-1,3-dihydro-1,2,4-triazol-2-yl]-1-(oxan-2-yl)indazol-5-amine?
The InChIKey is IVCRTUKEHRBQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-28-18-8-5-15(6-9-18)21-22-14-26(25-21)24-17-7-10-19-16(12-17)13-23-27(19)20-4-2-3-11-29-20/h5-10,12-13,20,24H,2-4,11,14H2,1H3,(H,22,25).
What are the key properties of N-[5-(4-methoxyphenyl)-1,3-dihydro-1,2,4-triazol-2-yl]-1-(oxan-2-yl)indazol-5-amine?
N-[5-(4-methoxyphenyl)-1,3-dihydro-1,2,4-triazol-2-yl]-1-(oxan-2-yl)indazol-5-amine has a molecular weight of 392.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-1,3-dihydro-1,2,4-triazol-2-yl]-1-(oxan-2-yl)indazol-5-amine is sourced from PubChem (CID 166559337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).