N-(5-chloro-2-pyridinyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine

C13H14ClN7 — CID 133354346

IUPACN-(5-chloro-2-pyridinyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
SMILESCc1cc(NCCNc2ccc(Cl)cn2)n2ncnc2n1
InChIInChI=1S/C13H14ClN7/c1-9-6-12(21-13(20-9)18-8-19-21)16-5-4-15-11-3-2-10(14)7-17-11/h2-3,6-8,16H,4-5H2,1H3,(H,15,17)
InChIKeyBRXHNGAKUMILCI-UHFFFAOYSA-N
MW303.76 g/mol
LogP2.01
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine

N-(5-chloro-2-pyridinyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine (PubChem CID 133354346) has the molecular formula C13H14ClN7 and a molecular weight of 303.76 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
PubChem CID133354346
Molecular FormulaC13H14ClN7
Molecular Weight303.76 g/mol
Exact Mass303.10
IUPAC NameN-(5-chloro-2-pyridinyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
SMILESCc1cc(NCCNc2ccc(Cl)cn2)n2ncnc2n1
InChIInChI=1S/C13H14ClN7/c1-9-6-12(21-13(20-9)18-8-19-21)16-5-4-15-11-3-2-10(14)7-17-11/h2-3,6-8,16H,4-5H2,1H3,(H,15,17)
InChIKeyBRXHNGAKUMILCI-UHFFFAOYSA-N
XLogP2.01
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,4-dichlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133356087
N-(5-chloropentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 107320766
3-chloro-2-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylamino]benzonitrile
CID 133354454
4-chloro-2-methyl-5-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylamino]pyridazin-3-one
CID 75376374
5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63226890
5-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79040439
N-(2,2-diphenylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3228693
5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79003007
1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
CID 115702113
5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 43816834
N-[(1R)-1-(4-chlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 30039564
5-methyl-N-(3-propoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 82944187

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The IUPAC name of N-(5-chloro-2-pyridinyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine (CID 133354346) is N-(5-chloro-2-pyridinyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine is Cc1cc(NCCNc2ccc(Cl)cn2)n2ncnc2n1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The InChIKey is BRXHNGAKUMILCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN7/c1-9-6-12(21-13(20-9)18-8-19-21)16-5-4-15-11-3-2-10(14)7-17-11/h2-3,6-8,16H,4-5H2,1H3,(H,15,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
N-(5-chloro-2-pyridinyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine has a molecular weight of 303.76 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine is sourced from PubChem (CID 133354346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).