N-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine

C13H14ClN5 — CID 112941149

IUPACN-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
SMILESClc1ccccc1Nc1nncc(N2CCCC2)n1
InChIInChI=1S/C13H14ClN5/c14-10-5-1-2-6-11(10)16-13-17-12(9-15-18-13)19-7-3-4-8-19/h1-2,5-6,9H,3-4,7-8H2,(H,16,17,18)
InChIKeyGLUHEFOFRYFBAD-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.87
Rot. Bonds3

About N-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine

N-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine (PubChem CID 112941149) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
PubChem CID112941149
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC NameN-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
SMILESClc1ccccc1Nc1nncc(N2CCCC2)n1
InChIInChI=1S/C13H14ClN5/c14-10-5-1-2-6-11(10)16-13-17-12(9-15-18-13)19-7-3-4-8-19/h1-2,5-6,9H,3-4,7-8H2,(H,16,17,18)
InChIKeyGLUHEFOFRYFBAD-UHFFFAOYSA-N
XLogP2.87
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941152
N-(2,6-dichlorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941981
5-(azepan-1-yl)-N-(2-bromophenyl)-1,2,4-triazin-3-amine
CID 112961320
2-[[5-(azepan-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112961346
N-phenyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941887
3-N-(2-chlorophenyl)-5-N-(4-piperidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112965808
N-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941828
N-(3-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942668
1-[4-[3-(2,3-dichloroanilino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112946987
N-(2,6-dichlorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942732
N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960463
N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945916

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
The IUPAC name of N-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine (CID 112941149) is N-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine is Clc1ccccc1Nc1nncc(N2CCCC2)n1.
What is the InChIKey of N-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
The InChIKey is GLUHEFOFRYFBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c14-10-5-1-2-6-11(10)16-13-17-12(9-15-18-13)19-7-3-4-8-19/h1-2,5-6,9H,3-4,7-8H2,(H,16,17,18).
What are the key properties of N-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
N-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine has a molecular weight of 275.74 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112941149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).