N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-amine

C13H13ClN4 — CID 117104513

IUPACN-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-amine
SMILESClc1ccccc1Nc1cc2c(nn1)CCNC2
InChIInChI=1S/C13H13ClN4/c14-10-3-1-2-4-12(10)16-13-7-9-8-15-6-5-11(9)17-18-13/h1-4,7,15H,5-6,8H2,(H,16,18)
InChIKeyPIZQRSFXSFETJH-UHFFFAOYSA-N
MW260.73 g/mol
LogP2.52
Rot. Bonds2

About N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-amine

N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-amine (PubChem CID 117104513) has the molecular formula C13H13ClN4 and a molecular weight of 260.73 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-amine
PubChem CID117104513
Molecular FormulaC13H13ClN4
Molecular Weight260.73 g/mol
Exact Mass260.08
IUPAC NameN-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-amine
SMILESClc1ccccc1Nc1cc2c(nn1)CCNC2
InChIInChI=1S/C13H13ClN4/c14-10-3-1-2-4-12(10)16-13-7-9-8-15-6-5-11(9)17-18-13/h1-4,7,15H,5-6,8H2,(H,16,18)
InChIKeyPIZQRSFXSFETJH-UHFFFAOYSA-N
XLogP2.52
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 117101094
2-N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 117101112
2-(2-chloroanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136965778
4-chloro-N-(2-chlorophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine
CID 117101313
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
2,6-dichloro-N-(2-chlorophenyl)pyrimidin-4-amine
CID 88722654
N-(2-chlorophenyl)-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 117100915
N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980517
N-(2-chlorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 117101406
2,4,6-trichloro-N-(2-chlorophenyl)aniline
CID 101290833
4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;piperidine
CID 22708768
3-(azetidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
CID 117104498

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-amine?
The IUPAC name of N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-amine (CID 117104513) is N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-amine.
What is the SMILES notation for N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-amine?
The canonical SMILES for N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-amine is Clc1ccccc1Nc1cc2c(nn1)CCNC2.
What is the InChIKey of N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-amine?
The InChIKey is PIZQRSFXSFETJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4/c14-10-3-1-2-4-12(10)16-13-7-9-8-15-6-5-11(9)17-18-13/h1-4,7,15H,5-6,8H2,(H,16,18).
What are the key properties of N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-amine?
N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-amine has a molecular weight of 260.73 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-amine is sourced from PubChem (CID 117104513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).