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

C14H16ClN5 — CID 112941152

IUPACN-(3-chloro-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
SMILESCc1c(Cl)cccc1Nc1nncc(N2CCCC2)n1
InChIInChI=1S/C14H16ClN5/c1-10-11(15)5-4-6-12(10)17-14-18-13(9-16-19-14)20-7-2-3-8-20/h4-6,9H,2-3,7-8H2,1H3,(H,17,18,19)
InChIKeyCSKGVOKTPVGYRZ-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.18
Rot. Bonds3

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

N-(3-chloro-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine (PubChem CID 112941152) has the molecular formula C14H16ClN5 and a molecular weight of 289.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
PubChem CID112941152
Molecular FormulaC14H16ClN5
Molecular Weight289.77 g/mol
Exact Mass289.11
IUPAC NameN-(3-chloro-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
SMILESCc1c(Cl)cccc1Nc1nncc(N2CCCC2)n1
InChIInChI=1S/C14H16ClN5/c1-10-11(15)5-4-6-12(10)17-14-18-13(9-16-19-14)20-7-2-3-8-20/h4-6,9H,2-3,7-8H2,1H3,(H,17,18,19)
InChIKeyCSKGVOKTPVGYRZ-UHFFFAOYSA-N
XLogP3.18
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942668
N-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941149
N-(2,6-dichlorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941981
ethyl 4-[3-(3-chloro-2-methylanilino)-1,2,4-triazin-5-yl]piperazine-1-carboxylate
CID 112957041
5-(azepan-1-yl)-N-(2-bromophenyl)-1,2,4-triazin-3-amine
CID 112961320
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
1-[4-[3-(2,6-dichloroanilino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112946986
3-N-(3-chloro-2-methylphenyl)-5-N-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966249
2-[[5-(azepan-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112961346
N-(4-bromo-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941199
5-N-(3-chloro-2-methylphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961869

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine (CID 112941152) is N-(3-chloro-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine is Cc1c(Cl)cccc1Nc1nncc(N2CCCC2)n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
The InChIKey is CSKGVOKTPVGYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5/c1-10-11(15)5-4-6-12(10)17-14-18-13(9-16-19-14)20-7-2-3-8-20/h4-6,9H,2-3,7-8H2,1H3,(H,17,18,19).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine?
N-(3-chloro-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine has a molecular weight of 289.77 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112941152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).