3-[(5-chloro-1H-indazol-6-yl)amino]propan-1-ol

C10H12ClN3O — CID 155381577

IUPAC3-[(5-chloro-1H-indazol-6-yl)amino]propan-1-ol
SMILESOCCCNc1cc2[nH]ncc2cc1Cl
InChIInChI=1S/C10H12ClN3O/c11-8-4-7-6-13-14-9(7)5-10(8)12-2-1-3-15/h4-6,12,15H,1-3H2,(H,13,14)
InChIKeyNNZGHGXJPWEHOZ-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.01
Rot. Bonds4

About 3-[(5-chloro-1H-indazol-6-yl)amino]propan-1-ol

3-[(5-chloro-1H-indazol-6-yl)amino]propan-1-ol (PubChem CID 155381577) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 3-[(5-chloro-1H-indazol-6-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-chloro-1H-indazol-6-yl)amino]propan-1-ol
PubChem CID155381577
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name3-[(5-chloro-1H-indazol-6-yl)amino]propan-1-ol
SMILESOCCCNc1cc2[nH]ncc2cc1Cl
InChIInChI=1S/C10H12ClN3O/c11-8-4-7-6-13-14-9(7)5-10(8)12-2-1-3-15/h4-6,12,15H,1-3H2,(H,13,14)
InChIKeyNNZGHGXJPWEHOZ-UHFFFAOYSA-N
XLogP2.01
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 3-[(5-chloro-1H-indazol-6-yl)amino]propan-1-ol?
The IUPAC name of 3-[(5-chloro-1H-indazol-6-yl)amino]propan-1-ol (CID 155381577) is 3-[(5-chloro-1H-indazol-6-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(5-chloro-1H-indazol-6-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(5-chloro-1H-indazol-6-yl)amino]propan-1-ol is OCCCNc1cc2[nH]ncc2cc1Cl.
What is the InChIKey of 3-[(5-chloro-1H-indazol-6-yl)amino]propan-1-ol?
The InChIKey is NNZGHGXJPWEHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c11-8-4-7-6-13-14-9(7)5-10(8)12-2-1-3-15/h4-6,12,15H,1-3H2,(H,13,14).
What are the key properties of 3-[(5-chloro-1H-indazol-6-yl)amino]propan-1-ol?
3-[(5-chloro-1H-indazol-6-yl)amino]propan-1-ol has a molecular weight of 225.68 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1H-indazol-6-yl)amino]propan-1-ol is sourced from PubChem (CID 155381577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).