3-[5-(3-aminopropyl)tetrazol-1-yl]phenol

C10H13N5O — CID 82228068

IUPAC3-[5-(3-aminopropyl)tetrazol-1-yl]phenol
SMILESNCCCc1nnnn1-c1cccc(O)c1
InChIInChI=1S/C10H13N5O/c11-6-2-5-10-12-13-14-15(10)8-3-1-4-9(16)7-8/h1,3-4,7,16H,2,5-6,11H2
InChIKeyQJQKBAZBYAYZFW-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.26
Rot. Bonds4

About 3-[5-(3-aminopropyl)tetrazol-1-yl]phenol

3-[5-(3-aminopropyl)tetrazol-1-yl]phenol (PubChem CID 82228068) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-[5-(3-aminopropyl)tetrazol-1-yl]phenol.

Molecular Properties

Compound Name3-[5-(3-aminopropyl)tetrazol-1-yl]phenol
PubChem CID82228068
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name3-[5-(3-aminopropyl)tetrazol-1-yl]phenol
SMILESNCCCc1nnnn1-c1cccc(O)c1
InChIInChI=1S/C10H13N5O/c11-6-2-5-10-12-13-14-15(10)8-3-1-4-9(16)7-8/h1,3-4,7,16H,2,5-6,11H2
InChIKeyQJQKBAZBYAYZFW-UHFFFAOYSA-N
XLogP0.26
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(3-bromo-4-methylphenyl)tetrazol-5-yl]propan-1-amine
CID 82228118
3-[1-(3,5-dichlorophenyl)tetrazol-5-yl]propan-1-amine
CID 82228072
2-(1-phenyltetrazol-5-yl)ethanamine
CID 64981210
3-[1-(4-piperidin-1-ylphenyl)tetrazol-5-yl]propan-1-amine
CID 82228110
3-[1-(3,4-diethoxyphenyl)tetrazol-5-yl]propan-1-amine
CID 82228131
3-(1-naphthalen-1-yltetrazol-5-yl)propan-1-amine
CID 82228115
3-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenol
CID 104590232
4-[5-(3-aminopropyl)tetrazol-1-yl]benzenesulfonamide
CID 82228095
4-(1-phenyltetrazol-5-yl)butanethioamide
CID 54231747
dimethyl 5-[5-(3-aminopropyl)tetrazol-1-yl]benzene-1,3-dicarboxylate
CID 94971666
propan-2-yl 3-[5-(2-aminoethyl)tetrazol-1-yl]benzoate
CID 82228047
3-[5-(trifluoromethyl)tetrazol-1-yl]phenol
CID 178199956

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-aminopropyl)tetrazol-1-yl]phenol?
The IUPAC name of 3-[5-(3-aminopropyl)tetrazol-1-yl]phenol (CID 82228068) is 3-[5-(3-aminopropyl)tetrazol-1-yl]phenol.
What is the SMILES notation for 3-[5-(3-aminopropyl)tetrazol-1-yl]phenol?
The canonical SMILES for 3-[5-(3-aminopropyl)tetrazol-1-yl]phenol is NCCCc1nnnn1-c1cccc(O)c1.
What is the InChIKey of 3-[5-(3-aminopropyl)tetrazol-1-yl]phenol?
The InChIKey is QJQKBAZBYAYZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c11-6-2-5-10-12-13-14-15(10)8-3-1-4-9(16)7-8/h1,3-4,7,16H,2,5-6,11H2.
What are the key properties of 3-[5-(3-aminopropyl)tetrazol-1-yl]phenol?
3-[5-(3-aminopropyl)tetrazol-1-yl]phenol has a molecular weight of 219.25 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-aminopropyl)tetrazol-1-yl]phenol is sourced from PubChem (CID 82228068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).