2,3,3a,4-tetrahydro-1H-indazol-4-amine

C7H11N3 — CID 142375222

IUPAC2,3,3a,4-tetrahydro-1H-indazol-4-amine
SMILESNC1C=CC=C2NNCC21
InChIInChI=1S/C7H11N3/c8-6-2-1-3-7-5(6)4-9-10-7/h1-3,5-6,9-10H,4,8H2
InChIKeyBOCRNUCGOPBFCD-UHFFFAOYSA-N
MW137.19 g/mol
LogP-0.51
Rot. Bonds

About 2,3,3a,4-tetrahydro-1H-indazol-4-amine

2,3,3a,4-tetrahydro-1H-indazol-4-amine (PubChem CID 142375222) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-indazol-4-amine.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-indazol-4-amine
PubChem CID142375222
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name2,3,3a,4-tetrahydro-1H-indazol-4-amine
SMILESNC1C=CC=C2NNCC21
InChIInChI=1S/C7H11N3/c8-6-2-1-3-7-5(6)4-9-10-7/h1-3,5-6,9-10H,4,8H2
InChIKeyBOCRNUCGOPBFCD-UHFFFAOYSA-N
XLogP-0.51
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-indazol-4-amine?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-indazol-4-amine (CID 142375222) is 2,3,3a,4-tetrahydro-1H-indazol-4-amine.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-indazol-4-amine?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-indazol-4-amine is NC1C=CC=C2NNCC21.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-indazol-4-amine?
The InChIKey is BOCRNUCGOPBFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c8-6-2-1-3-7-5(6)4-9-10-7/h1-3,5-6,9-10H,4,8H2.
What are the key properties of 2,3,3a,4-tetrahydro-1H-indazol-4-amine?
2,3,3a,4-tetrahydro-1H-indazol-4-amine has a molecular weight of 137.19 g/mol, XLogP of -0.51, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-indazol-4-amine is sourced from PubChem (CID 142375222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).