N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-indazol-7-amine

C14H18N4 — CID 82853033

IUPACN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-indazol-7-amine
SMILESc1cc(NC2CCN3CCCC23)c2[nH]ncc2c1
InChIInChI=1S/C14H18N4/c1-3-10-9-15-17-14(10)12(4-1)16-11-6-8-18-7-2-5-13(11)18/h1,3-4,9,11,13,16H,2,5-8H2,(H,15,17)
InChIKeySTGMGNZOHJLEME-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.21
Rot. Bonds2

About N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-indazol-7-amine

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-indazol-7-amine (PubChem CID 82853033) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-indazol-7-amine.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-indazol-7-amine
PubChem CID82853033
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-indazol-7-amine
SMILESc1cc(NC2CCN3CCCC23)c2[nH]ncc2c1
InChIInChI=1S/C14H18N4/c1-3-10-9-15-17-14(10)12(4-1)16-11-6-8-18-7-2-5-13(11)18/h1,3-4,9,11,13,16H,2,5-8H2,(H,15,17)
InChIKeySTGMGNZOHJLEME-UHFFFAOYSA-N
XLogP2.21
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-indazol-7-amine?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-indazol-7-amine (CID 82853033) is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-indazol-7-amine.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-indazol-7-amine?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-indazol-7-amine is c1cc(NC2CCN3CCCC23)c2[nH]ncc2c1.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-indazol-7-amine?
The InChIKey is STGMGNZOHJLEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-10-9-15-17-14(10)12(4-1)16-11-6-8-18-7-2-5-13(11)18/h1,3-4,9,11,13,16H,2,5-8H2,(H,15,17).
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-indazol-7-amine?
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-indazol-7-amine has a molecular weight of 242.33 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-indazol-7-amine is sourced from PubChem (CID 82853033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).