2-[(1H-indazol-7-ylamino)methyl]phenol

C14H13N3O — CID 5304089

IUPAC2-[(1H-indazol-7-ylamino)methyl]phenol
SMILESOc1ccccc1CNc1cccc2cn[nH]c12
InChIInChI=1S/C14H13N3O/c18-13-7-2-1-4-10(13)8-15-12-6-3-5-11-9-16-17-14(11)12/h1-7,9,15,18H,8H2,(H,16,17)
InChIKeyBRWRSNLTTHPSNU-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds3

About 2-[(1H-indazol-7-ylamino)methyl]phenol

2-[(1H-indazol-7-ylamino)methyl]phenol (PubChem CID 5304089) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[(1H-indazol-7-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(1H-indazol-7-ylamino)methyl]phenol
PubChem CID5304089
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-[(1H-indazol-7-ylamino)methyl]phenol
SMILESOc1ccccc1CNc1cccc2cn[nH]c12
InChIInChI=1S/C14H13N3O/c18-13-7-2-1-4-10(13)8-15-12-6-3-5-11-9-16-17-14(11)12/h1-7,9,15,18H,8H2,(H,16,17)
InChIKeyBRWRSNLTTHPSNU-UHFFFAOYSA-N
XLogP2.88
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1H-indazol-7-ylamino)methyl]phenol?
The IUPAC name of 2-[(1H-indazol-7-ylamino)methyl]phenol (CID 5304089) is 2-[(1H-indazol-7-ylamino)methyl]phenol.
What is the SMILES notation for 2-[(1H-indazol-7-ylamino)methyl]phenol?
The canonical SMILES for 2-[(1H-indazol-7-ylamino)methyl]phenol is Oc1ccccc1CNc1cccc2cn[nH]c12.
What is the InChIKey of 2-[(1H-indazol-7-ylamino)methyl]phenol?
The InChIKey is BRWRSNLTTHPSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c18-13-7-2-1-4-10(13)8-15-12-6-3-5-11-9-16-17-14(11)12/h1-7,9,15,18H,8H2,(H,16,17).
What are the key properties of 2-[(1H-indazol-7-ylamino)methyl]phenol?
2-[(1H-indazol-7-ylamino)methyl]phenol has a molecular weight of 239.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1H-indazol-7-ylamino)methyl]phenol is sourced from PubChem (CID 5304089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).