2-methyl-1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol

C11H17N5O — CID 107045442

IUPAC2-methyl-1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
SMILESCC(C)C(O)c1ccn(Cc2nnn(C)n2)c1
InChIInChI=1S/C11H17N5O/c1-8(2)11(17)9-4-5-16(6-9)7-10-12-14-15(3)13-10/h4-6,8,11,17H,7H2,1-3H3
InChIKeyJRKMOVYKUVQBEG-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.75
Rot. Bonds4

About 2-methyl-1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol

2-methyl-1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol (PubChem CID 107045442) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-methyl-1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
PubChem CID107045442
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-methyl-1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
SMILESCC(C)C(O)c1ccn(Cc2nnn(C)n2)c1
InChIInChI=1S/C11H17N5O/c1-8(2)11(17)9-4-5-16(6-9)7-10-12-14-15(3)13-10/h4-6,8,11,17H,7H2,1-3H3
InChIKeyJRKMOVYKUVQBEG-UHFFFAOYSA-N
XLogP0.75
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol (CID 107045442) is 2-methyl-1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol is CC(C)C(O)c1ccn(Cc2nnn(C)n2)c1.
What is the InChIKey of 2-methyl-1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?
The InChIKey is JRKMOVYKUVQBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-8(2)11(17)9-4-5-16(6-9)7-10-12-14-15(3)13-10/h4-6,8,11,17H,7H2,1-3H3.
What are the key properties of 2-methyl-1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol?
2-methyl-1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol has a molecular weight of 235.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 107045442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).