2-[(2-methyltetrazol-5-yl)methyl]-2-propylpropane-1,3-diol

C9H18N4O2 — CID 107058378

IUPAC2-[(2-methyltetrazol-5-yl)methyl]-2-propylpropane-1,3-diol
SMILESCCCC(CO)(CO)Cc1nnn(C)n1
InChIInChI=1S/C9H18N4O2/c1-3-4-9(6-14,7-15)5-8-10-12-13(2)11-8/h14-15H,3-7H2,1-2H3
InChIKeyJGCNHYKPYGUWEQ-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.48
Rot. Bonds6

About 2-[(2-methyltetrazol-5-yl)methyl]-2-propylpropane-1,3-diol

2-[(2-methyltetrazol-5-yl)methyl]-2-propylpropane-1,3-diol (PubChem CID 107058378) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-[(2-methyltetrazol-5-yl)methyl]-2-propylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(2-methyltetrazol-5-yl)methyl]-2-propylpropane-1,3-diol
PubChem CID107058378
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name2-[(2-methyltetrazol-5-yl)methyl]-2-propylpropane-1,3-diol
SMILESCCCC(CO)(CO)Cc1nnn(C)n1
InChIInChI=1S/C9H18N4O2/c1-3-4-9(6-14,7-15)5-8-10-12-13(2)11-8/h14-15H,3-7H2,1-2H3
InChIKeyJGCNHYKPYGUWEQ-UHFFFAOYSA-N
XLogP-0.48
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(2-Methyltetrazol-5-yl)methyl]oxan-3-yl]methanol
CID 105794743
3-Ethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
CID 107045909
3-Methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
CID 107045955
3-Methyl-1-(2-methyltetrazol-5-yl)hexan-2-ol
CID 107046021
3,3-Dimethyl-1-(2-methyltetrazol-5-yl)butan-2-ol
CID 107046023
4,4-Dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
CID 107046027
4-Methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
CID 107046551
1-(1-Methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107048030
3-Methoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
CID 107048153
3-Methyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol
CID 107048225
3-Ethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol
CID 107048229
4,4-Dimethyl-1-(2-methyltetrazol-5-yl)pentane-2,3-diol
CID 107048247

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl]-2-propylpropane-1,3-diol?
The IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl]-2-propylpropane-1,3-diol (CID 107058378) is 2-[(2-methyltetrazol-5-yl)methyl]-2-propylpropane-1,3-diol.
What is the SMILES notation for 2-[(2-methyltetrazol-5-yl)methyl]-2-propylpropane-1,3-diol?
The canonical SMILES for 2-[(2-methyltetrazol-5-yl)methyl]-2-propylpropane-1,3-diol is CCCC(CO)(CO)Cc1nnn(C)n1.
What is the InChIKey of 2-[(2-methyltetrazol-5-yl)methyl]-2-propylpropane-1,3-diol?
The InChIKey is JGCNHYKPYGUWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-3-4-9(6-14,7-15)5-8-10-12-13(2)11-8/h14-15H,3-7H2,1-2H3.
What are the key properties of 2-[(2-methyltetrazol-5-yl)methyl]-2-propylpropane-1,3-diol?
2-[(2-methyltetrazol-5-yl)methyl]-2-propylpropane-1,3-diol has a molecular weight of 214.27 g/mol, XLogP of -0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyltetrazol-5-yl)methyl]-2-propylpropane-1,3-diol is sourced from PubChem (CID 107058378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).