3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol

C13H20N4O — CID 114176711

IUPAC3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1cc2[nH]ncc2cc1N
InChIInChI=1S/C13H20N4O/c1-8(2)11(3-4-18)16-13-6-12-9(5-10(13)14)7-15-17-12/h5-8,11,16,18H,3-4,14H2,1-2H3,(H,15,17)
InChIKeyOXNOBGRUPSKTIE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.96
Rot. Bonds5

About 3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol

3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol (PubChem CID 114176711) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol
PubChem CID114176711
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1cc2[nH]ncc2cc1N
InChIInChI=1S/C13H20N4O/c1-8(2)11(3-4-18)16-13-6-12-9(5-10(13)14)7-15-17-12/h5-8,11,16,18H,3-4,14H2,1-2H3,(H,15,17)
InChIKeyOXNOBGRUPSKTIE-UHFFFAOYSA-N
XLogP1.96
TPSA86.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-N-[5-(diethylamino)pentan-2-yl]-1H-indazole-5,6-diamine
CID 107488380
methyl 2-[(5-amino-1H-indazol-6-yl)amino]-3-methylbutanoate
CID 107489722
6-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indazole-5,6-diamine
CID 114159574
6-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-indazole-5,6-diamine
CID 107489402
6-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-indazole-5,6-diamine
CID 107489454
2-[(5-amino-1H-indazol-6-yl)amino]-N-tert-butylpropanamide
CID 107490904
N-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide
CID 106352905
6-N-tert-butyl-1H-indazole-5,6-diamine
CID 107488480
6-N-[1-(5-chlorothiophen-2-yl)ethyl]-1H-indazole-5,6-diamine
CID 107489383
6-N-(2-cyclopropylpropyl)-1H-indazole-5,6-diamine
CID 107490998
6-N-[(1-propan-2-ylcyclopropyl)methyl]-1H-indazole-5,6-diamine
CID 114114758
6-N-(2-aminoethyl)-1H-indazole-5,6-diamine
CID 107490038

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol (CID 114176711) is 3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol is CC(C)C(CCO)Nc1cc2[nH]ncc2cc1N.
What is the InChIKey of 3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol?
The InChIKey is OXNOBGRUPSKTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-8(2)11(3-4-18)16-13-6-12-9(5-10(13)14)7-15-17-12/h5-8,11,16,18H,3-4,14H2,1-2H3,(H,15,17).
What are the key properties of 3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol?
3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol has a molecular weight of 248.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1H-indazol-6-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 114176711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).