5-[(3S,4R)-4-(2-methylpropyl)pyrrolidin-3-yl]-2H-tetrazole

C9H17N5 — CID 70105061

IUPAC5-[(3S,4R)-4-(2-methylpropyl)pyrrolidin-3-yl]-2H-tetrazole
SMILESCC(C)C[C@H]1CNC[C@H]1c1nn[nH]n1
InChIInChI=1S/C9H17N5/c1-6(2)3-7-4-10-5-8(7)9-11-13-14-12-9/h6-8,10H,3-5H2,1-2H3,(H,11,12,13,14)/t7-,8+/m0/s1
InChIKeyDQYXECHFBDDSEZ-JGVFFNPUSA-N
MW195.27 g/mol
LogP0.55
Rot. Bonds3

About 5-[(3S,4R)-4-(2-methylpropyl)pyrrolidin-3-yl]-2H-tetrazole

5-[(3S,4R)-4-(2-methylpropyl)pyrrolidin-3-yl]-2H-tetrazole (PubChem CID 70105061) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-[(3S,4R)-4-(2-methylpropyl)pyrrolidin-3-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(3S,4R)-4-(2-methylpropyl)pyrrolidin-3-yl]-2H-tetrazole
PubChem CID70105061
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name5-[(3S,4R)-4-(2-methylpropyl)pyrrolidin-3-yl]-2H-tetrazole
SMILESCC(C)C[C@H]1CNC[C@H]1c1nn[nH]n1
InChIInChI=1S/C9H17N5/c1-6(2)3-7-4-10-5-8(7)9-11-13-14-12-9/h6-8,10H,3-5H2,1-2H3,(H,11,12,13,14)/t7-,8+/m0/s1
InChIKeyDQYXECHFBDDSEZ-JGVFFNPUSA-N
XLogP0.55
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S,4R)-4-(2-methylpropyl)pyrrolidin-3-yl]-2H-tetrazole?
The IUPAC name of 5-[(3S,4R)-4-(2-methylpropyl)pyrrolidin-3-yl]-2H-tetrazole (CID 70105061) is 5-[(3S,4R)-4-(2-methylpropyl)pyrrolidin-3-yl]-2H-tetrazole.
What is the SMILES notation for 5-[(3S,4R)-4-(2-methylpropyl)pyrrolidin-3-yl]-2H-tetrazole?
The canonical SMILES for 5-[(3S,4R)-4-(2-methylpropyl)pyrrolidin-3-yl]-2H-tetrazole is CC(C)C[C@H]1CNC[C@H]1c1nn[nH]n1.
What is the InChIKey of 5-[(3S,4R)-4-(2-methylpropyl)pyrrolidin-3-yl]-2H-tetrazole?
The InChIKey is DQYXECHFBDDSEZ-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17N5/c1-6(2)3-7-4-10-5-8(7)9-11-13-14-12-9/h6-8,10H,3-5H2,1-2H3,(H,11,12,13,14)/t7-,8+/m0/s1.
What are the key properties of 5-[(3S,4R)-4-(2-methylpropyl)pyrrolidin-3-yl]-2H-tetrazole?
5-[(3S,4R)-4-(2-methylpropyl)pyrrolidin-3-yl]-2H-tetrazole has a molecular weight of 195.27 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,4R)-4-(2-methylpropyl)pyrrolidin-3-yl]-2H-tetrazole is sourced from PubChem (CID 70105061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).