3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol

C11H15N5O — CID 75426087

IUPAC3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol
SMILESCc1ccc(-n2cnnn2)cc1NCCCO
InChIInChI=1S/C11H15N5O/c1-9-3-4-10(16-8-13-14-15-16)7-11(9)12-5-2-6-17/h3-4,7-8,12,17H,2,5-6H2,1H3
InChIKeyNGFSSIRMIJJNEI-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.77
Rot. Bonds5

About 3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol

3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol (PubChem CID 75426087) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol.

Molecular Properties

Compound Name3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol
PubChem CID75426087
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol
SMILESCc1ccc(-n2cnnn2)cc1NCCCO
InChIInChI=1S/C11H15N5O/c1-9-3-4-10(16-8-13-14-15-16)7-11(9)12-5-2-6-17/h3-4,7-8,12,17H,2,5-6H2,1H3
InChIKeyNGFSSIRMIJJNEI-UHFFFAOYSA-N
XLogP0.77
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 79198857
N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700273
2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 62760274
2-methyl-N-(2-methylpentyl)-5-(tetrazol-1-yl)aniline
CID 43700067
2-methyl-N-[(3-methylthiophen-2-yl)methyl]-5-(tetrazol-1-yl)aniline
CID 43700233
2-methyl-N-[(3-methylphenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43700201
2-methyl-3-[2-methyl-5-(tetrazol-1-yl)anilino]butan-2-ol
CID 65338078
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(tetrazol-1-yl)aniline
CID 66400009
2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 78923820
2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 43700438
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700407
2-methyl-N-(oxan-4-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 62384673

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol?
The IUPAC name of 3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol (CID 75426087) is 3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol.
What is the SMILES notation for 3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol?
The canonical SMILES for 3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol is Cc1ccc(-n2cnnn2)cc1NCCCO.
What is the InChIKey of 3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol?
The InChIKey is NGFSSIRMIJJNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-9-3-4-10(16-8-13-14-15-16)7-11(9)12-5-2-6-17/h3-4,7-8,12,17H,2,5-6H2,1H3.
What are the key properties of 3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol?
3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol has a molecular weight of 233.28 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-5-(tetrazol-1-yl)anilino]propan-1-ol is sourced from PubChem (CID 75426087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).