1,1-bis(1-methyltetrazol-5-yl)ethanol

C6H10N8O — CID 119098788

IUPAC1,1-bis(1-methyltetrazol-5-yl)ethanol
SMILESCn1nnnc1C(C)(O)c1nnnn1C
InChIInChI=1S/C6H10N8O/c1-6(15,4-7-9-11-13(4)2)5-8-10-12-14(5)3/h15H,1-3H3
InChIKeyTVKFNCDJULGMFP-UHFFFAOYSA-N
MW210.20 g/mol
LogP-2.01
Rot. Bonds2

About 1,1-bis(1-methyltetrazol-5-yl)ethanol

1,1-bis(1-methyltetrazol-5-yl)ethanol (PubChem CID 119098788) has the molecular formula C6H10N8O and a molecular weight of 210.20 g/mol. Its IUPAC name is 1,1-bis(1-methyltetrazol-5-yl)ethanol.

Molecular Properties

Compound Name1,1-bis(1-methyltetrazol-5-yl)ethanol
PubChem CID119098788
Molecular FormulaC6H10N8O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name1,1-bis(1-methyltetrazol-5-yl)ethanol
SMILESCn1nnnc1C(C)(O)c1nnnn1C
InChIInChI=1S/C6H10N8O/c1-6(15,4-7-9-11-13(4)2)5-8-10-12-14(5)3/h15H,1-3H3
InChIKeyTVKFNCDJULGMFP-UHFFFAOYSA-N
XLogP-2.01
TPSA107.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 5-2.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-methyl-2-(1-methyltetrazol-5-yl)pentan-2-ol
CID 164659191
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole
CID 59530193
2,2-difluoro-2-(1-methyltetrazol-5-yl)acetic acid
CID 115015041
3-[[(1-methyltetrazol-5-yl)amino]methyl]pentan-3-ol
CID 63719018
2-(1-methyltetrazol-5-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 110496908
(NE)-N-[(1-methyltetrazol-5-yl)methylidene]hydroxylamine
CID 136920505
1,5-dimethyltetrazole;hydrofluoride
CID 153359282
5-fluoro-1-methyltetrazole
CID 69031674
1-methyltetrazole-5-thiolate;tungsten
CID 170791029
3-(1-methyltetrazol-5-yl)-3-sulfanylheptanamide
CID 57272171
[4-(1-methyltetrazol-5-yl)phenyl]methanol
CID 84771469
ethyl 2-(1-dodecyltetrazol-5-yl)-2-methylpropanoate
CID 10498217

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(1-methyltetrazol-5-yl)ethanol?
The IUPAC name of 1,1-bis(1-methyltetrazol-5-yl)ethanol (CID 119098788) is 1,1-bis(1-methyltetrazol-5-yl)ethanol.
What is the SMILES notation for 1,1-bis(1-methyltetrazol-5-yl)ethanol?
The canonical SMILES for 1,1-bis(1-methyltetrazol-5-yl)ethanol is Cn1nnnc1C(C)(O)c1nnnn1C.
What is the InChIKey of 1,1-bis(1-methyltetrazol-5-yl)ethanol?
The InChIKey is TVKFNCDJULGMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N8O/c1-6(15,4-7-9-11-13(4)2)5-8-10-12-14(5)3/h15H,1-3H3.
What are the key properties of 1,1-bis(1-methyltetrazol-5-yl)ethanol?
1,1-bis(1-methyltetrazol-5-yl)ethanol has a molecular weight of 210.20 g/mol, XLogP of -2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(1-methyltetrazol-5-yl)ethanol is sourced from PubChem (CID 119098788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).