2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol

C13H19N5O — CID 106186033

IUPAC2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1nnnn1-c1ccccc1
InChIInChI=1S/C13H19N5O/c1-12(2,13(3,4)19)14-11-15-16-17-18(11)10-8-6-5-7-9-10/h5-9,19H,1-4H3,(H,14,15,17)
InChIKeyALNJESVUYOMAKL-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.62
Rot. Bonds4

About 2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol

2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol (PubChem CID 106186033) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol
PubChem CID106186033
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1nnnn1-c1ccccc1
InChIInChI=1S/C13H19N5O/c1-12(2,13(3,4)19)14-11-15-16-17-18(11)10-8-6-5-7-9-10/h5-9,19H,1-4H3,(H,14,15,17)
InChIKeyALNJESVUYOMAKL-UHFFFAOYSA-N
XLogP1.62
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.62
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
2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 43388771
1-phenyl-2-(1-phenyltetrazol-5-yl)hydrazine
CID 134909651
methyl 3-[(1-phenyltetrazol-5-yl)amino]propanoate
CID 60631997
4-[(1-phenyltetrazol-5-yl)amino]benzoic acid
CID 43172025
(1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 97325529
N-methyl-2-(1-phenyltetrazol-5-yl)propan-2-amine
CID 53009736
N-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 60703954
N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
CID 24707793
N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenyltetrazol-5-amine
CID 78963065
3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid
CID 81077703
N-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
CID 133412491

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol (CID 106186033) is 2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol is CC(C)(O)C(C)(C)Nc1nnnn1-c1ccccc1.
What is the InChIKey of 2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol?
The InChIKey is ALNJESVUYOMAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-12(2,13(3,4)19)14-11-15-16-17-18(11)10-8-6-5-7-9-10/h5-9,19H,1-4H3,(H,14,15,17).
What are the key properties of 2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol?
2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol has a molecular weight of 261.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol is sourced from PubChem (CID 106186033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).