2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol

C11H15N5O — CID 43388771

IUPAC2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nnnn1-c1ccccc1
InChIInChI=1S/C11H15N5O/c1-2-9(8-17)12-11-13-14-15-16(11)10-6-4-3-5-7-10/h3-7,9,17H,2,8H2,1H3,(H,12,13,15)
InChIKeyGQVIGANPHZPZQE-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.85
Rot. Bonds5

About 2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol

2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol (PubChem CID 43388771) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
PubChem CID43388771
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nnnn1-c1ccccc1
InChIInChI=1S/C11H15N5O/c1-2-9(8-17)12-11-13-14-15-16(11)10-6-4-3-5-7-10/h3-7,9,17H,2,8H2,1H3,(H,12,13,15)
InChIKeyGQVIGANPHZPZQE-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)amino]propane-1,3-diol
CID 107849570
3-[methyl-[2-[(1-phenyltetrazol-5-yl)amino]butanoyl]amino]propanoic acid
CID 119362556
(1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 97325529
1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)tetrazol-5-amine
CID 61462761
1-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]tetrazol-5-amine
CID 106282877
3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid
CID 81077703
2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol
CID 106186033
(2S)-2-[2-[(1-phenyltetrazol-5-yl)amino]butanoylamino]hexanoic acid
CID 120615255
N-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 60703954
4-chloro-5-[[(2S)-1-hydroxybutan-2-yl]amino]-2-phenylpyridazin-3-one
CID 133434585
1-[2-[(1-phenyltetrazol-5-yl)amino]butanoyl]piperidine-4-carboxylic acid
CID 119349526
(2S)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-1-ol
CID 866509

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol?
The IUPAC name of 2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol (CID 43388771) is 2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol is CCC(CO)Nc1nnnn1-c1ccccc1.
What is the InChIKey of 2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol?
The InChIKey is GQVIGANPHZPZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-2-9(8-17)12-11-13-14-15-16(11)10-6-4-3-5-7-10/h3-7,9,17H,2,8H2,1H3,(H,12,13,15).
What are the key properties of 2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol?
2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol has a molecular weight of 233.28 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol is sourced from PubChem (CID 43388771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).