5-phenyl-3-pyrrolidin-1-yl-1,2,4-triazine

C13H14N4 — CID 6401202

IUPAC5-phenyl-3-pyrrolidin-1-yl-1,2,4-triazine
SMILESc1ccc(-c2cnnc(N3CCCC3)n2)cc1
InChIInChI=1S/C13H14N4/c1-2-6-11(7-3-1)12-10-14-16-13(15-12)17-8-4-5-9-17/h1-3,6-7,10H,4-5,8-9H2
InChIKeyMINIKQRXIPEKKD-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.14
Rot. Bonds2

About 5-phenyl-3-pyrrolidin-1-yl-1,2,4-triazine

5-phenyl-3-pyrrolidin-1-yl-1,2,4-triazine (PubChem CID 6401202) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-phenyl-3-pyrrolidin-1-yl-1,2,4-triazine.

Molecular Properties

Compound Name5-phenyl-3-pyrrolidin-1-yl-1,2,4-triazine
PubChem CID6401202
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name5-phenyl-3-pyrrolidin-1-yl-1,2,4-triazine
SMILESc1ccc(-c2cnnc(N3CCCC3)n2)cc1
InChIInChI=1S/C13H14N4/c1-2-6-11(7-3-1)12-10-14-16-13(15-12)17-8-4-5-9-17/h1-3,6-7,10H,4-5,8-9H2
InChIKeyMINIKQRXIPEKKD-UHFFFAOYSA-N
XLogP2.14
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-pyrrolidin-1-yl-1,2,4-triazine?
The IUPAC name of 5-phenyl-3-pyrrolidin-1-yl-1,2,4-triazine (CID 6401202) is 5-phenyl-3-pyrrolidin-1-yl-1,2,4-triazine.
What is the SMILES notation for 5-phenyl-3-pyrrolidin-1-yl-1,2,4-triazine?
The canonical SMILES for 5-phenyl-3-pyrrolidin-1-yl-1,2,4-triazine is c1ccc(-c2cnnc(N3CCCC3)n2)cc1.
What is the InChIKey of 5-phenyl-3-pyrrolidin-1-yl-1,2,4-triazine?
The InChIKey is MINIKQRXIPEKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-2-6-11(7-3-1)12-10-14-16-13(15-12)17-8-4-5-9-17/h1-3,6-7,10H,4-5,8-9H2.
What are the key properties of 5-phenyl-3-pyrrolidin-1-yl-1,2,4-triazine?
5-phenyl-3-pyrrolidin-1-yl-1,2,4-triazine has a molecular weight of 226.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-pyrrolidin-1-yl-1,2,4-triazine is sourced from PubChem (CID 6401202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).