N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine

C15H18N6 — CID 80505333

IUPACN'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine
SMILESCc1cc(NCCC(N)c2ccccc2)n2ncnc2n1
InChIInChI=1S/C15H18N6/c1-11-9-14(21-15(20-11)18-10-19-21)17-8-7-13(16)12-5-3-2-4-6-12/h2-6,9-10,13,17H,7-8,16H2,1H3
InChIKeyWQJXBJUQNOPKNW-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.93
Rot. Bonds5

About N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine

N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine (PubChem CID 80505333) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine
PubChem CID80505333
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC NameN'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine
SMILESCc1cc(NCCC(N)c2ccccc2)n2ncnc2n1
InChIInChI=1S/C15H18N6/c1-11-9-14(21-15(20-11)18-10-19-21)17-8-7-13(16)12-5-3-2-4-6-12/h2-6,9-10,13,17H,7-8,16H2,1H3
InChIKeyWQJXBJUQNOPKNW-UHFFFAOYSA-N
XLogP1.93
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine (CID 80505333) is N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine is Cc1cc(NCCC(N)c2ccccc2)n2ncnc2n1.
What is the InChIKey of N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine?
The InChIKey is WQJXBJUQNOPKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-11-9-14(21-15(20-11)18-10-19-21)17-8-7-13(16)12-5-3-2-4-6-12/h2-6,9-10,13,17H,7-8,16H2,1H3.
What are the key properties of N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine?
N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine has a molecular weight of 282.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 80505333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).