5-N-[(3-chlorophenyl)methyl]pyridine-2,3,5-triamine

C12H13ClN4 — CID 155130266

IUPAC5-N-[(3-chlorophenyl)methyl]pyridine-2,3,5-triamine
SMILESNc1cc(NCc2cccc(Cl)c2)cnc1N
InChIInChI=1S/C12H13ClN4/c13-9-3-1-2-8(4-9)6-16-10-5-11(14)12(15)17-7-10/h1-5,7,16H,6,14H2,(H2,15,17)
InChIKeyRYTPMOPSOLEJOT-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.51
Rot. Bonds3

About 5-N-[(3-chlorophenyl)methyl]pyridine-2,3,5-triamine

5-N-[(3-chlorophenyl)methyl]pyridine-2,3,5-triamine (PubChem CID 155130266) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 5-N-[(3-chlorophenyl)methyl]pyridine-2,3,5-triamine.

Molecular Properties

Compound Name5-N-[(3-chlorophenyl)methyl]pyridine-2,3,5-triamine
PubChem CID155130266
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name5-N-[(3-chlorophenyl)methyl]pyridine-2,3,5-triamine
SMILESNc1cc(NCc2cccc(Cl)c2)cnc1N
InChIInChI=1S/C12H13ClN4/c13-9-3-1-2-8(4-9)6-16-10-5-11(14)12(15)17-7-10/h1-5,7,16H,6,14H2,(H2,15,17)
InChIKeyRYTPMOPSOLEJOT-UHFFFAOYSA-N
XLogP2.51
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 43675273
2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine
CID 62538240
2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine
CID 62537408
2-N-[(3-chlorophenyl)methyl]-4-fluorobenzene-1,2-diamine
CID 55086539
4-[(3-chlorophenyl)methylamino]phenol
CID 18778399
4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid
CID 62533427
5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile
CID 62537909
N-[(3-chlorophenyl)methyl]thiophen-3-amine
CID 66351019
3-chloro-1-N-[(3-chlorophenyl)methyl]benzene-1,2-diamine
CID 113458621
2-N-[(3-chlorophenyl)methyl]-3,4-difluorobenzene-1,2-diamine
CID 62533701
5-N-[(3-chlorophenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103361005
4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
CID 43721513

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-chlorophenyl)methyl]pyridine-2,3,5-triamine?
The IUPAC name of 5-N-[(3-chlorophenyl)methyl]pyridine-2,3,5-triamine (CID 155130266) is 5-N-[(3-chlorophenyl)methyl]pyridine-2,3,5-triamine.
What is the SMILES notation for 5-N-[(3-chlorophenyl)methyl]pyridine-2,3,5-triamine?
The canonical SMILES for 5-N-[(3-chlorophenyl)methyl]pyridine-2,3,5-triamine is Nc1cc(NCc2cccc(Cl)c2)cnc1N.
What is the InChIKey of 5-N-[(3-chlorophenyl)methyl]pyridine-2,3,5-triamine?
The InChIKey is RYTPMOPSOLEJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c13-9-3-1-2-8(4-9)6-16-10-5-11(14)12(15)17-7-10/h1-5,7,16H,6,14H2,(H2,15,17).
What are the key properties of 5-N-[(3-chlorophenyl)methyl]pyridine-2,3,5-triamine?
5-N-[(3-chlorophenyl)methyl]pyridine-2,3,5-triamine has a molecular weight of 248.72 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-chlorophenyl)methyl]pyridine-2,3,5-triamine is sourced from PubChem (CID 155130266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).