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

C9H15N3 — CID 14539718

IUPACN-ethyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCCNC1CCc2[nH]ncc2C1
InChIInChI=1S/C9H15N3/c1-2-10-8-3-4-9-7(5-8)6-11-12-9/h6,8,10H,2-5H2,1H3,(H,11,12)
InChIKeyDDFOVLJCDZCIIF-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.88
Rot. Bonds2

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

N-ethyl-4,5,6,7-tetrahydro-1H-indazol-5-amine (PubChem CID 14539718) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-ethyl-4,5,6,7-tetrahydro-1H-indazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
PubChem CID14539718
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-ethyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCCNC1CCc2[nH]ncc2C1
InChIInChI=1S/C9H15N3/c1-2-10-8-3-4-9-7(5-8)6-11-12-9/h6,8,10H,2-5H2,1H3,(H,11,12)
InChIKeyDDFOVLJCDZCIIF-UHFFFAOYSA-N
XLogP0.88
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The IUPAC name of N-ethyl-4,5,6,7-tetrahydro-1H-indazol-5-amine (CID 14539718) is N-ethyl-4,5,6,7-tetrahydro-1H-indazol-5-amine.
What is the SMILES notation for N-ethyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The canonical SMILES for N-ethyl-4,5,6,7-tetrahydro-1H-indazol-5-amine is CCNC1CCc2[nH]ncc2C1.
What is the InChIKey of N-ethyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The InChIKey is DDFOVLJCDZCIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-10-8-3-4-9-7(5-8)6-11-12-9/h6,8,10H,2-5H2,1H3,(H,11,12).
What are the key properties of N-ethyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
N-ethyl-4,5,6,7-tetrahydro-1H-indazol-5-amine has a molecular weight of 165.24 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,5,6,7-tetrahydro-1H-indazol-5-amine is sourced from PubChem (CID 14539718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).