3,3-dimethyl-1-(2-methyltetrazol-5-yl)butane-1,2-diol

C8H16N4O2 — CID 130892425

IUPAC3,3-dimethyl-1-(2-methyltetrazol-5-yl)butane-1,2-diol
SMILESCn1nnc(C(O)C(O)C(C)(C)C)n1
InChIInChI=1S/C8H16N4O2/c1-8(2,3)6(14)5(13)7-9-11-12(4)10-7/h5-6,13-14H,1-4H3
InChIKeyGSYOSKRHCMMGMM-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.35
Rot. Bonds2

About 3,3-dimethyl-1-(2-methyltetrazol-5-yl)butane-1,2-diol

3,3-dimethyl-1-(2-methyltetrazol-5-yl)butane-1,2-diol (PubChem CID 130892425) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methyltetrazol-5-yl)butane-1,2-diol.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methyltetrazol-5-yl)butane-1,2-diol
PubChem CID130892425
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name3,3-dimethyl-1-(2-methyltetrazol-5-yl)butane-1,2-diol
SMILESCn1nnc(C(O)C(O)C(C)(C)C)n1
InChIInChI=1S/C8H16N4O2/c1-8(2,3)6(14)5(13)7-9-11-12(4)10-7/h5-6,13-14H,1-4H3
InChIKeyGSYOSKRHCMMGMM-UHFFFAOYSA-N
XLogP-0.35
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-(2-methyltetrazol-5-yl)propan-1-ol
CID 84650561
2-methylsulfanyl-1-(2-methyltetrazol-5-yl)ethanol
CID 130758214
2-(aminomethyl)-1-(2-methyltetrazol-5-yl)butan-1-ol
CID 165446658
5-(2-iodopropan-2-yl)-2-methyltetrazole
CID 163520419
2-azido-1-(2-methyltetrazol-5-yl)ethanol
CID 4164854
methyl 2-hydroxy-2-(2-methyltetrazol-5-yl)acetate
CID 127004730
3-ethoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
CID 107048155
(2-methyltetrazol-5-yl)-(1H-pyrazol-4-yl)methanol
CID 130930410
1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylethanol
CID 127004646
benzyl-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamic acid
CID 66716601
(2-methyltetrazol-5-yl)-pyridin-3-ylmethanol
CID 131137701
2-amino-1-(2-propan-2-yltetrazol-5-yl)propan-1-ol
CID 84660176

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methyltetrazol-5-yl)butane-1,2-diol?
The IUPAC name of 3,3-dimethyl-1-(2-methyltetrazol-5-yl)butane-1,2-diol (CID 130892425) is 3,3-dimethyl-1-(2-methyltetrazol-5-yl)butane-1,2-diol.
What is the SMILES notation for 3,3-dimethyl-1-(2-methyltetrazol-5-yl)butane-1,2-diol?
The canonical SMILES for 3,3-dimethyl-1-(2-methyltetrazol-5-yl)butane-1,2-diol is Cn1nnc(C(O)C(O)C(C)(C)C)n1.
What is the InChIKey of 3,3-dimethyl-1-(2-methyltetrazol-5-yl)butane-1,2-diol?
The InChIKey is GSYOSKRHCMMGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-8(2,3)6(14)5(13)7-9-11-12(4)10-7/h5-6,13-14H,1-4H3.
What are the key properties of 3,3-dimethyl-1-(2-methyltetrazol-5-yl)butane-1,2-diol?
3,3-dimethyl-1-(2-methyltetrazol-5-yl)butane-1,2-diol has a molecular weight of 200.24 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-methyltetrazol-5-yl)butane-1,2-diol is sourced from PubChem (CID 130892425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).