6-(4-aminobut-1-enyl)-1H-indazol-3-amine

C11H14N4 — CID 170487144

IUPAC6-(4-aminobut-1-enyl)-1H-indazol-3-amine
SMILESNCCC=Cc1ccc2c(N)n[nH]c2c1
InChIInChI=1S/C11H14N4/c12-6-2-1-3-8-4-5-9-10(7-8)14-15-11(9)13/h1,3-5,7H,2,6,12H2,(H3,13,14,15)
InChIKeyKMCVSTKJIPFAEM-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.51
Rot. Bonds3

About 6-(4-aminobut-1-enyl)-1H-indazol-3-amine

6-(4-aminobut-1-enyl)-1H-indazol-3-amine (PubChem CID 170487144) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 6-(4-aminobut-1-enyl)-1H-indazol-3-amine.

Molecular Properties

Compound Name6-(4-aminobut-1-enyl)-1H-indazol-3-amine
PubChem CID170487144
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name6-(4-aminobut-1-enyl)-1H-indazol-3-amine
SMILESNCCC=Cc1ccc2c(N)n[nH]c2c1
InChIInChI=1S/C11H14N4/c12-6-2-1-3-8-4-5-9-10(7-8)14-15-11(9)13/h1,3-5,7H,2,6,12H2,(H3,13,14,15)
InChIKeyKMCVSTKJIPFAEM-UHFFFAOYSA-N
XLogP1.51
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminobut-1-enyl)-1H-indazol-3-amine?
The IUPAC name of 6-(4-aminobut-1-enyl)-1H-indazol-3-amine (CID 170487144) is 6-(4-aminobut-1-enyl)-1H-indazol-3-amine.
What is the SMILES notation for 6-(4-aminobut-1-enyl)-1H-indazol-3-amine?
The canonical SMILES for 6-(4-aminobut-1-enyl)-1H-indazol-3-amine is NCCC=Cc1ccc2c(N)n[nH]c2c1.
What is the InChIKey of 6-(4-aminobut-1-enyl)-1H-indazol-3-amine?
The InChIKey is KMCVSTKJIPFAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c12-6-2-1-3-8-4-5-9-10(7-8)14-15-11(9)13/h1,3-5,7H,2,6,12H2,(H3,13,14,15).
What are the key properties of 6-(4-aminobut-1-enyl)-1H-indazol-3-amine?
6-(4-aminobut-1-enyl)-1H-indazol-3-amine has a molecular weight of 202.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminobut-1-enyl)-1H-indazol-3-amine is sourced from PubChem (CID 170487144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).