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

C12H20N6 — CID 55090908

IUPACN'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)c1cc(C)nc2ncnn12
InChIInChI=1S/C12H20N6/c1-4-5-13-6-7-17(3)11-8-10(2)16-12-14-9-15-18(11)12/h8-9,13H,4-7H2,1-3H3
InChIKeyWCSIEOXVBDKBJJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.87
Rot. Bonds6

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

N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylethane-1,2-diamine (PubChem CID 55090908) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylethane-1,2-diamine
PubChem CID55090908
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC NameN'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)c1cc(C)nc2ncnn12
InChIInChI=1S/C12H20N6/c1-4-5-13-6-7-17(3)11-8-10(2)16-12-14-9-15-18(11)12/h8-9,13H,4-7H2,1-3H3
InChIKeyWCSIEOXVBDKBJJ-UHFFFAOYSA-N
XLogP0.87
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylethane-1,2-diamine (CID 55090908) is N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylethane-1,2-diamine is CCCNCCN(C)c1cc(C)nc2ncnn12.
What is the InChIKey of N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylethane-1,2-diamine?
The InChIKey is WCSIEOXVBDKBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-4-5-13-6-7-17(3)11-8-10(2)16-12-14-9-15-18(11)12/h8-9,13H,4-7H2,1-3H3.
What are the key properties of N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylethane-1,2-diamine?
N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylethane-1,2-diamine has a molecular weight of 248.33 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 55090908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).