1-cyclopropyl-5-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]tetrazole

C14H20N6 — CID 95581120

IUPAC1-cyclopropyl-5-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]tetrazole
SMILESCn1cccc1[C@@H]1CCCN1Cc1nnnn1C1CC1
InChIInChI=1S/C14H20N6/c1-18-8-2-4-12(18)13-5-3-9-19(13)10-14-15-16-17-20(14)11-6-7-11/h2,4,8,11,13H,3,5-7,9-10H2,1H3/t13-/m0/s1
InChIKeyROBHGOQDODRJHR-ZDUSSCGKSA-N
MW272.36 g/mol
LogP1.68
Rot. Bonds4

About 1-cyclopropyl-5-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]tetrazole

1-cyclopropyl-5-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]tetrazole (PubChem CID 95581120) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-cyclopropyl-5-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]tetrazole.

Molecular Properties

Compound Name1-cyclopropyl-5-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]tetrazole
PubChem CID95581120
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name1-cyclopropyl-5-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]tetrazole
SMILESCn1cccc1[C@@H]1CCCN1Cc1nnnn1C1CC1
InChIInChI=1S/C14H20N6/c1-18-8-2-4-12(18)13-5-3-9-19(13)10-14-15-16-17-20(14)11-6-7-11/h2,4,8,11,13H,3,5-7,9-10H2,1H3/t13-/m0/s1
InChIKeyROBHGOQDODRJHR-ZDUSSCGKSA-N
XLogP1.68
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]tetrazole?
The IUPAC name of 1-cyclopropyl-5-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]tetrazole (CID 95581120) is 1-cyclopropyl-5-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]tetrazole.
What is the SMILES notation for 1-cyclopropyl-5-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]tetrazole?
The canonical SMILES for 1-cyclopropyl-5-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]tetrazole is Cn1cccc1[C@@H]1CCCN1Cc1nnnn1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]tetrazole?
The InChIKey is ROBHGOQDODRJHR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N6/c1-18-8-2-4-12(18)13-5-3-9-19(13)10-14-15-16-17-20(14)11-6-7-11/h2,4,8,11,13H,3,5-7,9-10H2,1H3/t13-/m0/s1.
What are the key properties of 1-cyclopropyl-5-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]tetrazole?
1-cyclopropyl-5-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]tetrazole has a molecular weight of 272.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]tetrazole is sourced from PubChem (CID 95581120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).