3-[(S)-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-pyrrolidin-1-ylmethyl]pyridine

C15H19N5 — CID 95121082

IUPAC3-[(S)-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-pyrrolidin-1-ylmethyl]pyridine
SMILESc1cncc([C@@H](c2n[nH]c(C3CC3)n2)N2CCCC2)c1
InChIInChI=1S/C15H19N5/c1-2-9-20(8-1)13(12-4-3-7-16-10-12)15-17-14(18-19-15)11-5-6-11/h3-4,7,10-11,13H,1-2,5-6,8-9H2,(H,17,18,19)/t13-/m0/s1
InChIKeyXINQLUBDPIMKOI-ZDUSSCGKSA-N
MW269.35 g/mol
LogP2.26
Rot. Bonds4

About 3-[(S)-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-pyrrolidin-1-ylmethyl]pyridine

3-[(S)-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-pyrrolidin-1-ylmethyl]pyridine (PubChem CID 95121082) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-[(S)-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-pyrrolidin-1-ylmethyl]pyridine.

Molecular Properties

Compound Name3-[(S)-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-pyrrolidin-1-ylmethyl]pyridine
PubChem CID95121082
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name3-[(S)-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-pyrrolidin-1-ylmethyl]pyridine
SMILESc1cncc([C@@H](c2n[nH]c(C3CC3)n2)N2CCCC2)c1
InChIInChI=1S/C15H19N5/c1-2-9-20(8-1)13(12-4-3-7-16-10-12)15-17-14(18-19-15)11-5-6-11/h3-4,7,10-11,13H,1-2,5-6,8-9H2,(H,17,18,19)/t13-/m0/s1
InChIKeyXINQLUBDPIMKOI-ZDUSSCGKSA-N
XLogP2.26
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(S)-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-pyrrolidin-1-ylmethyl]pyridine?
The IUPAC name of 3-[(S)-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-pyrrolidin-1-ylmethyl]pyridine (CID 95121082) is 3-[(S)-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-pyrrolidin-1-ylmethyl]pyridine.
What is the SMILES notation for 3-[(S)-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-pyrrolidin-1-ylmethyl]pyridine?
The canonical SMILES for 3-[(S)-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-pyrrolidin-1-ylmethyl]pyridine is c1cncc([C@@H](c2n[nH]c(C3CC3)n2)N2CCCC2)c1.
What is the InChIKey of 3-[(S)-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-pyrrolidin-1-ylmethyl]pyridine?
The InChIKey is XINQLUBDPIMKOI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N5/c1-2-9-20(8-1)13(12-4-3-7-16-10-12)15-17-14(18-19-15)11-5-6-11/h3-4,7,10-11,13H,1-2,5-6,8-9H2,(H,17,18,19)/t13-/m0/s1.
What are the key properties of 3-[(S)-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-pyrrolidin-1-ylmethyl]pyridine?
3-[(S)-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-pyrrolidin-1-ylmethyl]pyridine has a molecular weight of 269.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-pyrrolidin-1-ylmethyl]pyridine is sourced from PubChem (CID 95121082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).