[3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]methanol

C8H15N5O — CID 107057794

IUPAC[3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCn1nnc(CC2(CO)CCNC2)n1
InChIInChI=1S/C8H15N5O/c1-13-11-7(10-12-13)4-8(6-14)2-3-9-5-8/h9,14H,2-6H2,1H3
InChIKeyGJUBGXQHIXNGTJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.28
Rot. Bonds3

About [3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]methanol

[3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 107057794) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is [3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
PubChem CID107057794
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name[3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCn1nnc(CC2(CO)CCNC2)n1
InChIInChI=1S/C8H15N5O/c1-13-11-7(10-12-13)4-8(6-14)2-3-9-5-8/h9,14H,2-6H2,1H3
InChIKeyGJUBGXQHIXNGTJ-UHFFFAOYSA-N
XLogP-1.28
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]methanol (CID 107057794) is [3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]methanol is Cn1nnc(CC2(CO)CCNC2)n1.
What is the InChIKey of [3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is GJUBGXQHIXNGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-13-11-7(10-12-13)4-8(6-14)2-3-9-5-8/h9,14H,2-6H2,1H3.
What are the key properties of [3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]methanol?
[3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 197.24 g/mol, XLogP of -1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 107057794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).