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

C6H12N4O2 — CID 107047728

IUPAC1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol
SMILESCOCC(O)Cc1nnn(C)n1
InChIInChI=1S/C6H12N4O2/c1-10-8-6(7-9-10)3-5(11)4-12-2/h5,11H,3-4H2,1-2H3
InChIKeyBMZJFFJBKZOZLY-UHFFFAOYSA-N
MW172.19 g/mol
LogP-1.24
Rot. Bonds4

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

1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol (PubChem CID 107047728) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is 1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol
PubChem CID107047728
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol
SMILESCOCC(O)Cc1nnn(C)n1
InChIInChI=1S/C6H12N4O2/c1-10-8-6(7-9-10)3-5(11)4-12-2/h5,11H,3-4H2,1-2H3
InChIKeyBMZJFFJBKZOZLY-UHFFFAOYSA-N
XLogP-1.24
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol?
The IUPAC name of 1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol (CID 107047728) is 1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol?
The canonical SMILES for 1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol is COCC(O)Cc1nnn(C)n1.
What is the InChIKey of 1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol?
The InChIKey is BMZJFFJBKZOZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c1-10-8-6(7-9-10)3-5(11)4-12-2/h5,11H,3-4H2,1-2H3.
What are the key properties of 1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol?
1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol has a molecular weight of 172.19 g/mol, XLogP of -1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-ol is sourced from PubChem (CID 107047728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).