2-(2-methyltetrazol-5-yl)-2-pyrimidin-5-ylethanol

C8H10N6O — CID 170225037

IUPAC2-(2-methyltetrazol-5-yl)-2-pyrimidin-5-ylethanol
SMILESCn1nnc(C(CO)c2cncnc2)n1
InChIInChI=1S/C8H10N6O/c1-14-12-8(11-13-14)7(4-15)6-2-9-5-10-3-6/h2-3,5,7,15H,4H2,1H3
InChIKeyYWALHFCZABDXTN-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.88
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-2-pyrimidin-5-ylethanol

2-(2-methyltetrazol-5-yl)-2-pyrimidin-5-ylethanol (PubChem CID 170225037) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-2-pyrimidin-5-ylethanol.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-2-pyrimidin-5-ylethanol
PubChem CID170225037
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name2-(2-methyltetrazol-5-yl)-2-pyrimidin-5-ylethanol
SMILESCn1nnc(C(CO)c2cncnc2)n1
InChIInChI=1S/C8H10N6O/c1-14-12-8(11-13-14)7(4-15)6-2-9-5-10-3-6/h2-3,5,7,15H,4H2,1H3
InChIKeyYWALHFCZABDXTN-UHFFFAOYSA-N
XLogP-0.88
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-2-pyrimidin-5-ylethanol?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-2-pyrimidin-5-ylethanol (CID 170225037) is 2-(2-methyltetrazol-5-yl)-2-pyrimidin-5-ylethanol.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-2-pyrimidin-5-ylethanol?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-2-pyrimidin-5-ylethanol is Cn1nnc(C(CO)c2cncnc2)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-2-pyrimidin-5-ylethanol?
The InChIKey is YWALHFCZABDXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c1-14-12-8(11-13-14)7(4-15)6-2-9-5-10-3-6/h2-3,5,7,15H,4H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-2-pyrimidin-5-ylethanol?
2-(2-methyltetrazol-5-yl)-2-pyrimidin-5-ylethanol has a molecular weight of 206.21 g/mol, XLogP of -0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-2-pyrimidin-5-ylethanol is sourced from PubChem (CID 170225037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).