5-(pyrrolidin-2-ylmethyl)-2H-tetrazole

C6H11N5 — CID 53421238

IUPAC5-(pyrrolidin-2-ylmethyl)-2H-tetrazole
SMILESC1CNC(Cc2nn[nH]n2)C1
InChIInChI=1S/C6H11N5/c1-2-5(7-3-1)4-6-8-10-11-9-6/h5,7H,1-4H2,(H,8,9,10,11)
InChIKeyJTQJCMXMBWLKCI-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.51
Rot. Bonds2

About 5-(pyrrolidin-2-ylmethyl)-2H-tetrazole

5-(pyrrolidin-2-ylmethyl)-2H-tetrazole (PubChem CID 53421238) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is 5-(pyrrolidin-2-ylmethyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(pyrrolidin-2-ylmethyl)-2H-tetrazole
PubChem CID53421238
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC Name5-(pyrrolidin-2-ylmethyl)-2H-tetrazole
SMILESC1CNC(Cc2nn[nH]n2)C1
InChIInChI=1S/C6H11N5/c1-2-5(7-3-1)4-6-8-10-11-9-6/h5,7H,1-4H2,(H,8,9,10,11)
InChIKeyJTQJCMXMBWLKCI-UHFFFAOYSA-N
XLogP-0.51
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2H-tetrazol-5-ylmethyl)piperidine
CID 84652779
1-pyrrolidin-2-yl-N-(2H-tetrazol-5-ylmethyl)methanamine
CID 106638235
5-ethyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazine
CID 105446545
5-pyrrolidin-2-yl-2H-tetrazole;hydrochloride
CID 42962676
3-chloro-5-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole
CID 84660804
cesium;hydride;5-[(2R)-pyrrolidin-2-yl]-2H-tetrazole
CID 173085630
5-[(2-methylpropan-2-yl)oxy]-2-(pyrrolidin-2-ylmethyl)pyrimidine
CID 117231618
N-(piperidin-2-ylmethyl)-1-(2H-tetrazol-5-yl)ethanamine
CID 106633822
1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole
CID 82600329
5-chloro-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 83867973
4-methyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
CID 62694265
2-(pyrrolidin-2-ylmethyl)-4-(1H-pyrrol-2-yl)pyrimidine
CID 116898922

Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidin-2-ylmethyl)-2H-tetrazole?
The IUPAC name of 5-(pyrrolidin-2-ylmethyl)-2H-tetrazole (CID 53421238) is 5-(pyrrolidin-2-ylmethyl)-2H-tetrazole.
What is the SMILES notation for 5-(pyrrolidin-2-ylmethyl)-2H-tetrazole?
The canonical SMILES for 5-(pyrrolidin-2-ylmethyl)-2H-tetrazole is C1CNC(Cc2nn[nH]n2)C1.
What is the InChIKey of 5-(pyrrolidin-2-ylmethyl)-2H-tetrazole?
The InChIKey is JTQJCMXMBWLKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5/c1-2-5(7-3-1)4-6-8-10-11-9-6/h5,7H,1-4H2,(H,8,9,10,11).
What are the key properties of 5-(pyrrolidin-2-ylmethyl)-2H-tetrazole?
5-(pyrrolidin-2-ylmethyl)-2H-tetrazole has a molecular weight of 153.19 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidin-2-ylmethyl)-2H-tetrazole is sourced from PubChem (CID 53421238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).