1-butylindazol-3-amine

C11H15N3 — CID 62686774

IUPAC1-butylindazol-3-amine
SMILESCCCCn1nc(N)c2ccccc21
InChIInChI=1S/C11H15N3/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13-14/h4-7H,2-3,8H2,1H3,(H2,12,13)
InChIKeyGNGBCWRFGWCBIT-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.42
Rot. Bonds3

About 1-butylindazol-3-amine

1-butylindazol-3-amine (PubChem CID 62686774) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-butylindazol-3-amine.

Molecular Properties

Compound Name1-butylindazol-3-amine
PubChem CID62686774
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-butylindazol-3-amine
SMILESCCCCn1nc(N)c2ccccc21
InChIInChI=1S/C11H15N3/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13-14/h4-7H,2-3,8H2,1H3,(H2,12,13)
InChIKeyGNGBCWRFGWCBIT-UHFFFAOYSA-N
XLogP2.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-nonylindazol-3-amine
CID 63489930
1-[2-(diethylamino)ethyl]indazol-3-amine
CID 107913543
1-(3-phenylpropyl)indazol-3-amine
CID 62687133
1-(2-ethoxyethyl)indazol-3-amine
CID 62687666
1-(2-pyrazol-1-ylethyl)indazol-3-amine
CID 62687152
1-(2-tert-butylsulfonylethyl)indazol-3-amine
CID 106729521
1-[(3,5-dimethylphenyl)methyl]indazol-3-amine
CID 62685871
ethane;3-methyl-1-propylindazole
CID 144653830
1,3-dipropylindazole
CID 174534089
1-[(2-chlorophenyl)methyl]indazol-3-amine
CID 55104008
(1-butylindazol-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 170857562
[1-(3-ethoxypropyl)indazol-3-yl]methanamine
CID 65177727

Frequently Asked Questions

What is the IUPAC name of 1-butylindazol-3-amine?
The IUPAC name of 1-butylindazol-3-amine (CID 62686774) is 1-butylindazol-3-amine.
What is the SMILES notation for 1-butylindazol-3-amine?
The canonical SMILES for 1-butylindazol-3-amine is CCCCn1nc(N)c2ccccc21.
What is the InChIKey of 1-butylindazol-3-amine?
The InChIKey is GNGBCWRFGWCBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13-14/h4-7H,2-3,8H2,1H3,(H2,12,13).
What are the key properties of 1-butylindazol-3-amine?
1-butylindazol-3-amine has a molecular weight of 189.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylindazol-3-amine is sourced from PubChem (CID 62686774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).