N-(3-methoxy-2-methylpropyl)-1H-indazol-6-amine

C12H17N3O — CID 116501115

IUPACN-(3-methoxy-2-methylpropyl)-1H-indazol-6-amine
SMILESCOCC(C)CNc1ccc2cn[nH]c2c1
InChIInChI=1S/C12H17N3O/c1-9(8-16-2)6-13-11-4-3-10-7-14-15-12(10)5-11/h3-5,7,9,13H,6,8H2,1-2H3,(H,14,15)
InChIKeyPIRFPSCOSJRJSD-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.26
Rot. Bonds5

About N-(3-methoxy-2-methylpropyl)-1H-indazol-6-amine

N-(3-methoxy-2-methylpropyl)-1H-indazol-6-amine (PubChem CID 116501115) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)-1H-indazol-6-amine.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)-1H-indazol-6-amine
PubChem CID116501115
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(3-methoxy-2-methylpropyl)-1H-indazol-6-amine
SMILESCOCC(C)CNc1ccc2cn[nH]c2c1
InChIInChI=1S/C12H17N3O/c1-9(8-16-2)6-13-11-4-3-10-7-14-15-12(10)5-11/h3-5,7,9,13H,6,8H2,1-2H3,(H,14,15)
InChIKeyPIRFPSCOSJRJSD-UHFFFAOYSA-N
XLogP2.26
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine
CID 43229901
N-(3-methoxy-3-methylbutyl)-1H-indazol-6-amine
CID 106675315
N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine
CID 43743407
N-(4-methylpentan-2-yl)-1H-indazol-6-amine
CID 43743502
N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine
CID 43790642
N-(5-methylheptan-3-yl)-1H-indazol-6-amine
CID 43743481
N-(3-methylsulfanylpropyl)-1H-indazol-6-amine
CID 43743379
N-(cyclohexylmethyl)-1H-indazol-6-amine
CID 5333513
4-chloro-3-methoxy-N-(3-methoxy-2-methylpropyl)aniline
CID 107272154
2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol
CID 107678691
3-bromo-4-methoxy-N-(3-methoxy-2-methylpropyl)aniline
CID 116501354
N-(1H-indazol-6-yl)propane-2-sulfonamide
CID 25044387

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-methylpropyl)-1H-indazol-6-amine?
The IUPAC name of N-(3-methoxy-2-methylpropyl)-1H-indazol-6-amine (CID 116501115) is N-(3-methoxy-2-methylpropyl)-1H-indazol-6-amine.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)-1H-indazol-6-amine?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)-1H-indazol-6-amine is COCC(C)CNc1ccc2cn[nH]c2c1.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)-1H-indazol-6-amine?
The InChIKey is PIRFPSCOSJRJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(8-16-2)6-13-11-4-3-10-7-14-15-12(10)5-11/h3-5,7,9,13H,6,8H2,1-2H3,(H,14,15).
What are the key properties of N-(3-methoxy-2-methylpropyl)-1H-indazol-6-amine?
N-(3-methoxy-2-methylpropyl)-1H-indazol-6-amine has a molecular weight of 219.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)-1H-indazol-6-amine is sourced from PubChem (CID 116501115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).