2-methyl-2-[[4-(tetrazol-1-yl)anilino]methyl]butan-1-ol

C13H19N5O — CID 81411606

IUPAC2-methyl-2-[[4-(tetrazol-1-yl)anilino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H19N5O/c1-3-13(2,9-19)8-14-11-4-6-12(7-5-11)18-10-15-16-17-18/h4-7,10,14,19H,3,8-9H2,1-2H3
InChIKeyDWZFRFPMYSJCLD-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.48
Rot. Bonds6

About 2-methyl-2-[[4-(tetrazol-1-yl)anilino]methyl]butan-1-ol

2-methyl-2-[[4-(tetrazol-1-yl)anilino]methyl]butan-1-ol (PubChem CID 81411606) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-methyl-2-[[4-(tetrazol-1-yl)anilino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[4-(tetrazol-1-yl)anilino]methyl]butan-1-ol
PubChem CID81411606
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-methyl-2-[[4-(tetrazol-1-yl)anilino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C13H19N5O/c1-3-13(2,9-19)8-14-11-4-6-12(7-5-11)18-10-15-16-17-18/h4-7,10,14,19H,3,8-9H2,1-2H3
InChIKeyDWZFRFPMYSJCLD-UHFFFAOYSA-N
XLogP1.48
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,4-dimethyl-5-[4-(tetrazol-1-yl)anilino]pentanenitrile
CID 115743436
N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline
CID 28621711
2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol
CID 81401098
4-[[4-(tetrazol-1-yl)anilino]methyl]phenol
CID 28621639
N-[(5-ethylfuran-2-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62346303
tert-butyl N-[2-[4-(tetrazol-1-yl)anilino]ethyl]carbamate
CID 103818149
N-(1-hydroxy-3-methylpentan-3-yl)-4-(tetrazol-1-yl)benzamide
CID 103945863
2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 62854275
(2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 79022947
[4-(tetrazol-1-yl)phenyl]methanol
CID 67038028
N-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 115762701
N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide
CID 65109439

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[4-(tetrazol-1-yl)anilino]methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[[4-(tetrazol-1-yl)anilino]methyl]butan-1-ol (CID 81411606) is 2-methyl-2-[[4-(tetrazol-1-yl)anilino]methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[4-(tetrazol-1-yl)anilino]methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[4-(tetrazol-1-yl)anilino]methyl]butan-1-ol is CCC(C)(CO)CNc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-methyl-2-[[4-(tetrazol-1-yl)anilino]methyl]butan-1-ol?
The InChIKey is DWZFRFPMYSJCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-13(2,9-19)8-14-11-4-6-12(7-5-11)18-10-15-16-17-18/h4-7,10,14,19H,3,8-9H2,1-2H3.
What are the key properties of 2-methyl-2-[[4-(tetrazol-1-yl)anilino]methyl]butan-1-ol?
2-methyl-2-[[4-(tetrazol-1-yl)anilino]methyl]butan-1-ol has a molecular weight of 261.33 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-(tetrazol-1-yl)anilino]methyl]butan-1-ol is sourced from PubChem (CID 81411606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).