2-(2-methyltetrazol-5-yl)-1-[(3S)-pyrrolidin-3-yl]ethanol

C8H15N5O — CID 164653633

IUPAC2-(2-methyltetrazol-5-yl)-1-[(3S)-pyrrolidin-3-yl]ethanol
SMILESCn1nnc(CC(O)[C@H]2CCNC2)n1
InChIInChI=1S/C8H15N5O/c1-13-11-8(10-12-13)4-7(14)6-2-3-9-5-6/h6-7,9,14H,2-5H2,1H3/t6-,7?/m0/s1
InChIKeyACFVHXQPGXLJKF-PKPIPKONSA-N
MW197.24 g/mol
LogP-1.28
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-1-[(3S)-pyrrolidin-3-yl]ethanol

2-(2-methyltetrazol-5-yl)-1-[(3S)-pyrrolidin-3-yl]ethanol (PubChem CID 164653633) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-[(3S)-pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-[(3S)-pyrrolidin-3-yl]ethanol
PubChem CID164653633
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2-(2-methyltetrazol-5-yl)-1-[(3S)-pyrrolidin-3-yl]ethanol
SMILESCn1nnc(CC(O)[C@H]2CCNC2)n1
InChIInChI=1S/C8H15N5O/c1-13-11-8(10-12-13)4-7(14)6-2-3-9-5-6/h6-7,9,14H,2-5H2,1H3/t6-,7?/m0/s1
InChIKeyACFVHXQPGXLJKF-PKPIPKONSA-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

Analyze 2-(2-methyltetrazol-5-yl)-1-[(3S)-pyrrolidin-3-yl]ethanol with MolForge

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Related Compounds

3-[[(2-Methyltetrazol-5-yl)methylamino]methyl]hexan-1-ol
CID 106115193
3-[[(2-Methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 106129131
2-[[(2-Methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 107042498
3-[[(2-Methyltetrazol-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 107042503
2-(2-Methyltetrazol-5-yl)-1-piperidin-4-ylethanol
CID 107046212
2-(2-Methyltetrazol-5-yl)-1-piperidin-3-ylethanol
CID 107046214
3-[(2-Methyltetrazol-5-yl)methyl]piperidin-4-ol
CID 107052357
1-[1-[(2-Methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]ethanol
CID 107052578
[3-[(2-Methyltetrazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 107057794
[2-[(2-Methyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 107057875
3-(Aminomethyl)-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
CID 107443277
(2-Methyltetrazol-5-yl)-piperidin-4-ylmethanol
CID 130878914

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-[(3S)-pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-[(3S)-pyrrolidin-3-yl]ethanol (CID 164653633) is 2-(2-methyltetrazol-5-yl)-1-[(3S)-pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-[(3S)-pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-[(3S)-pyrrolidin-3-yl]ethanol is Cn1nnc(CC(O)[C@H]2CCNC2)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-[(3S)-pyrrolidin-3-yl]ethanol?
The InChIKey is ACFVHXQPGXLJKF-PKPIPKONSA-N. The full InChI is InChI=1S/C8H15N5O/c1-13-11-8(10-12-13)4-7(14)6-2-3-9-5-6/h6-7,9,14H,2-5H2,1H3/t6-,7?/m0/s1.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-[(3S)-pyrrolidin-3-yl]ethanol?
2-(2-methyltetrazol-5-yl)-1-[(3S)-pyrrolidin-3-yl]ethanol 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 2-(2-methyltetrazol-5-yl)-1-[(3S)-pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 164653633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).