N-(3-methoxybutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

C12H21N3O — CID 115894209

IUPACN-(3-methoxybutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCOC(C)C(C)NC1CCc2[nH]ncc2C1
InChIInChI=1S/C12H21N3O/c1-8(9(2)16-3)14-11-4-5-12-10(6-11)7-13-15-12/h7-9,11,14H,4-6H2,1-3H3,(H,13,15)
InChIKeyGZSCRUPJXKZSFX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.28
Rot. Bonds4

About N-(3-methoxybutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

N-(3-methoxybutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine (PubChem CID 115894209) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(3-methoxybutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(3-methoxybutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
PubChem CID115894209
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(3-methoxybutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCOC(C)C(C)NC1CCc2[nH]ncc2C1
InChIInChI=1S/C12H21N3O/c1-8(9(2)16-3)14-11-4-5-12-10(6-11)7-13-15-12/h7-9,11,14H,4-6H2,1-3H3,(H,13,15)
InChIKeyGZSCRUPJXKZSFX-UHFFFAOYSA-N
XLogP1.28
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[(1S)-1-[[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino]ethyl]benzenesulfonamide
CID 97103421
(5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
CID 118699358
(5S)-N-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 99783283
N-(2-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)butanamide
CID 75497138
N-[3-[(1R)-1-[[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino]ethyl]phenyl]acetamide
CID 97103418
N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanamine
CID 84717090
(5S)-N-[(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 97103415
1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 124738907
N-(6-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 133314472
N-(6-ethyl-2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 133460777
N-(3-methoxybutan-2-yl)cyclobutanamine
CID 115889558
1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327551

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The IUPAC name of N-(3-methoxybutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine (CID 115894209) is N-(3-methoxybutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine.
What is the SMILES notation for N-(3-methoxybutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The canonical SMILES for N-(3-methoxybutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine is COC(C)C(C)NC1CCc2[nH]ncc2C1.
What is the InChIKey of N-(3-methoxybutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The InChIKey is GZSCRUPJXKZSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(9(2)16-3)14-11-4-5-12-10(6-11)7-13-15-12/h7-9,11,14H,4-6H2,1-3H3,(H,13,15).
What are the key properties of N-(3-methoxybutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine?
N-(3-methoxybutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine has a molecular weight of 223.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxybutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine is sourced from PubChem (CID 115894209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).