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

C10H18N4O2 — CID 107065829

IUPAC1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
SMILESCOC1(CC(O)Cc2nnn(C)n2)CCC1
InChIInChI=1S/C10H18N4O2/c1-14-12-9(11-13-14)6-8(15)7-10(16-2)4-3-5-10/h8,15H,3-7H2,1-2H3
InChIKeyMVHIRWGGRROWCT-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.07
Rot. Bonds5

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

1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-ol (PubChem CID 107065829) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
PubChem CID107065829
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
SMILESCOC1(CC(O)Cc2nnn(C)n2)CCC1
InChIInChI=1S/C10H18N4O2/c1-14-12-9(11-13-14)6-8(15)7-10(16-2)4-3-5-10/h8,15H,3-7H2,1-2H3
InChIKeyMVHIRWGGRROWCT-UHFFFAOYSA-N
XLogP0.07
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-ol?
The IUPAC name of 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-ol (CID 107065829) is 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-ol is COC1(CC(O)Cc2nnn(C)n2)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-ol?
The InChIKey is MVHIRWGGRROWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-14-12-9(11-13-14)6-8(15)7-10(16-2)4-3-5-10/h8,15H,3-7H2,1-2H3.
What are the key properties of 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-ol?
1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-ol has a molecular weight of 226.28 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-ol is sourced from PubChem (CID 107065829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).