N-butyl-4,5,6,7-tetrahydro-1H-indazol-5-amine

C11H19N3 — CID 14539720

IUPACN-butyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCCCCNC1CCc2[nH]ncc2C1
InChIInChI=1S/C11H19N3/c1-2-3-6-12-10-4-5-11-9(7-10)8-13-14-11/h8,10,12H,2-7H2,1H3,(H,13,14)
InChIKeyXIWDNPJISURRAQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.66
Rot. Bonds4

About N-butyl-4,5,6,7-tetrahydro-1H-indazol-5-amine

N-butyl-4,5,6,7-tetrahydro-1H-indazol-5-amine (PubChem CID 14539720) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-butyl-4,5,6,7-tetrahydro-1H-indazol-5-amine.

Molecular Properties

Compound NameN-butyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
PubChem CID14539720
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-butyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCCCCNC1CCc2[nH]ncc2C1
InChIInChI=1S/C11H19N3/c1-2-3-6-12-10-4-5-11-9(7-10)8-13-14-11/h8,10,12H,2-7H2,1H3,(H,13,14)
InChIKeyXIWDNPJISURRAQ-UHFFFAOYSA-N
XLogP1.66
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The IUPAC name of N-butyl-4,5,6,7-tetrahydro-1H-indazol-5-amine (CID 14539720) is N-butyl-4,5,6,7-tetrahydro-1H-indazol-5-amine.
What is the SMILES notation for N-butyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The canonical SMILES for N-butyl-4,5,6,7-tetrahydro-1H-indazol-5-amine is CCCCNC1CCc2[nH]ncc2C1.
What is the InChIKey of N-butyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The InChIKey is XIWDNPJISURRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-3-6-12-10-4-5-11-9(7-10)8-13-14-11/h8,10,12H,2-7H2,1H3,(H,13,14).
What are the key properties of N-butyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
N-butyl-4,5,6,7-tetrahydro-1H-indazol-5-amine has a molecular weight of 193.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4,5,6,7-tetrahydro-1H-indazol-5-amine is sourced from PubChem (CID 14539720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).