2-methyl-1-[1-(2-methylpropyl)tetrazol-5-yl]propan-1-ol

C9H18N4O — CID 140915650

IUPAC2-methyl-1-[1-(2-methylpropyl)tetrazol-5-yl]propan-1-ol
SMILESCC(C)Cn1nnnc1C(O)C(C)C
InChIInChI=1S/C9H18N4O/c1-6(2)5-13-9(10-11-12-13)8(14)7(3)4/h6-8,14H,5H2,1-4H3
InChIKeyDXEYIWWPAYVHPR-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.02
Rot. Bonds4

About 2-methyl-1-[1-(2-methylpropyl)tetrazol-5-yl]propan-1-ol

2-methyl-1-[1-(2-methylpropyl)tetrazol-5-yl]propan-1-ol (PubChem CID 140915650) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-methyl-1-[1-(2-methylpropyl)tetrazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[1-(2-methylpropyl)tetrazol-5-yl]propan-1-ol
PubChem CID140915650
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-methyl-1-[1-(2-methylpropyl)tetrazol-5-yl]propan-1-ol
SMILESCC(C)Cn1nnnc1C(O)C(C)C
InChIInChI=1S/C9H18N4O/c1-6(2)5-13-9(10-11-12-13)8(14)7(3)4/h6-8,14H,5H2,1-4H3
InChIKeyDXEYIWWPAYVHPR-UHFFFAOYSA-N
XLogP1.02
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(2-methylpropyl)tetrazol-5-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[1-(2-methylpropyl)tetrazol-5-yl]propan-1-ol (CID 140915650) is 2-methyl-1-[1-(2-methylpropyl)tetrazol-5-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[1-(2-methylpropyl)tetrazol-5-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[1-(2-methylpropyl)tetrazol-5-yl]propan-1-ol is CC(C)Cn1nnnc1C(O)C(C)C.
What is the InChIKey of 2-methyl-1-[1-(2-methylpropyl)tetrazol-5-yl]propan-1-ol?
The InChIKey is DXEYIWWPAYVHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-6(2)5-13-9(10-11-12-13)8(14)7(3)4/h6-8,14H,5H2,1-4H3.
What are the key properties of 2-methyl-1-[1-(2-methylpropyl)tetrazol-5-yl]propan-1-ol?
2-methyl-1-[1-(2-methylpropyl)tetrazol-5-yl]propan-1-ol has a molecular weight of 198.27 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(2-methylpropyl)tetrazol-5-yl]propan-1-ol is sourced from PubChem (CID 140915650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).