4-[2-amino-2-(2H-tetrazol-5-yl)propyl]phenol

C10H13N5O — CID 44522617

IUPAC4-[2-amino-2-(2H-tetrazol-5-yl)propyl]phenol
SMILESCC(N)(Cc1ccc(O)cc1)c1nn[nH]n1
InChIInChI=1S/C10H13N5O/c1-10(11,9-12-14-15-13-9)6-7-2-4-8(16)5-3-7/h2-5,16H,6,11H2,1H3,(H,12,13,14,15)
InChIKeyKKEFCBWPSALWFS-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.32
Rot. Bonds3

About 4-[2-amino-2-(2H-tetrazol-5-yl)propyl]phenol

4-[2-amino-2-(2H-tetrazol-5-yl)propyl]phenol (PubChem CID 44522617) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-[2-amino-2-(2H-tetrazol-5-yl)propyl]phenol.

Molecular Properties

Compound Name4-[2-amino-2-(2H-tetrazol-5-yl)propyl]phenol
PubChem CID44522617
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name4-[2-amino-2-(2H-tetrazol-5-yl)propyl]phenol
SMILESCC(N)(Cc1ccc(O)cc1)c1nn[nH]n1
InChIInChI=1S/C10H13N5O/c1-10(11,9-12-14-15-13-9)6-7-2-4-8(16)5-3-7/h2-5,16H,6,11H2,1H3,(H,12,13,14,15)
InChIKeyKKEFCBWPSALWFS-UHFFFAOYSA-N
XLogP0.32
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-2-(2H-tetrazol-5-yl)propyl]phenol?
The IUPAC name of 4-[2-amino-2-(2H-tetrazol-5-yl)propyl]phenol (CID 44522617) is 4-[2-amino-2-(2H-tetrazol-5-yl)propyl]phenol.
What is the SMILES notation for 4-[2-amino-2-(2H-tetrazol-5-yl)propyl]phenol?
The canonical SMILES for 4-[2-amino-2-(2H-tetrazol-5-yl)propyl]phenol is CC(N)(Cc1ccc(O)cc1)c1nn[nH]n1.
What is the InChIKey of 4-[2-amino-2-(2H-tetrazol-5-yl)propyl]phenol?
The InChIKey is KKEFCBWPSALWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-10(11,9-12-14-15-13-9)6-7-2-4-8(16)5-3-7/h2-5,16H,6,11H2,1H3,(H,12,13,14,15).
What are the key properties of 4-[2-amino-2-(2H-tetrazol-5-yl)propyl]phenol?
4-[2-amino-2-(2H-tetrazol-5-yl)propyl]phenol has a molecular weight of 219.25 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-(2H-tetrazol-5-yl)propyl]phenol is sourced from PubChem (CID 44522617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).