2-[benzyl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol

C14H21N5O — CID 60685100

IUPAC2-[benzyl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol
SMILESCCCn1nnnc1CN(CCO)Cc1ccccc1
InChIInChI=1S/C14H21N5O/c1-2-8-19-14(15-16-17-19)12-18(9-10-20)11-13-6-4-3-5-7-13/h3-7,20H,2,8-12H2,1H3
InChIKeyJXWMXYWUFZXZTE-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.08
Rot. Bonds8

About 2-[benzyl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol

2-[benzyl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol (PubChem CID 60685100) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[benzyl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol
PubChem CID60685100
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-[benzyl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol
SMILESCCCn1nnnc1CN(CCO)Cc1ccccc1
InChIInChI=1S/C14H21N5O/c1-2-8-19-14(15-16-17-19)12-18(9-10-20)11-13-6-4-3-5-7-13/h3-7,20H,2,8-12H2,1H3
InChIKeyJXWMXYWUFZXZTE-UHFFFAOYSA-N
XLogP1.08
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[benzyl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methoxyethyl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol
CID 115613663
2-[propan-2-yl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol
CID 60693648
3-[[2-hydroxyethyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1464228
2-[2-phenylethyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethanol
CID 111121816
3-[[(1-benzyltetrazol-5-yl)methyl-(2-hydroxyethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1464227
3-(5-benzyltetrazol-1-yl)propan-1-ol
CID 84759521
2-[benzyl(nonyl)amino]ethanol
CID 63469962
2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol
CID 110880251
N,N-dibenzylpropan-1-amine
CID 10840212
(1S)-1-(2-methoxyphenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]ethanamine
CID 94157370
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol
CID 60684939

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol (CID 60685100) is 2-[benzyl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol is CCCn1nnnc1CN(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol?
The InChIKey is JXWMXYWUFZXZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-2-8-19-14(15-16-17-19)12-18(9-10-20)11-13-6-4-3-5-7-13/h3-7,20H,2,8-12H2,1H3.
What are the key properties of 2-[benzyl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol?
2-[benzyl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol has a molecular weight of 275.36 g/mol, XLogP of 1.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol is sourced from PubChem (CID 60685100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).