2-cyclopropyl-1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol

C9H16N4O2 — CID 107046205

IUPAC2-cyclopropyl-1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol
SMILESCOCC(O)(Cc1nnn(C)n1)C1CC1
InChIInChI=1S/C9H16N4O2/c1-13-11-8(10-12-13)5-9(14,6-15-2)7-3-4-7/h7,14H,3-6H2,1-2H3
InChIKeyMAAVVEQCLUOGOQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.46
Rot. Bonds5

About 2-cyclopropyl-1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol

2-cyclopropyl-1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol (PubChem CID 107046205) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-cyclopropyl-1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-cyclopropyl-1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol
PubChem CID107046205
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-cyclopropyl-1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol
SMILESCOCC(O)(Cc1nnn(C)n1)C1CC1
InChIInChI=1S/C9H16N4O2/c1-13-11-8(10-12-13)5-9(14,6-15-2)7-3-4-7/h7,14H,3-6H2,1-2H3
InChIKeyMAAVVEQCLUOGOQ-UHFFFAOYSA-N
XLogP-0.46
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol?
The IUPAC name of 2-cyclopropyl-1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol (CID 107046205) is 2-cyclopropyl-1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-cyclopropyl-1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol?
The canonical SMILES for 2-cyclopropyl-1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol is COCC(O)(Cc1nnn(C)n1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol?
The InChIKey is MAAVVEQCLUOGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-13-11-8(10-12-13)5-9(14,6-15-2)7-3-4-7/h7,14H,3-6H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol?
2-cyclopropyl-1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol has a molecular weight of 212.25 g/mol, XLogP of -0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol is sourced from PubChem (CID 107046205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).