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

C17H22N6 — CID 138988417

IUPACN,N-dimethyl-1-(4-methylphenyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
SMILESCc1ccc(C(CNc2cc(C)nc3ncnn23)N(C)C)cc1
InChIInChI=1S/C17H22N6/c1-12-5-7-14(8-6-12)15(22(3)4)10-18-16-9-13(2)21-17-19-11-20-23(16)17/h5-9,11,15,18H,10H2,1-4H3
InChIKeyIRTLKTZEXDEEMS-UHFFFAOYSA-N
MW310.41 g/mol
LogP2.46
Rot. Bonds5

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

N,N-dimethyl-1-(4-methylphenyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine (PubChem CID 138988417) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methylphenyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methylphenyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
PubChem CID138988417
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC NameN,N-dimethyl-1-(4-methylphenyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
SMILESCc1ccc(C(CNc2cc(C)nc3ncnn23)N(C)C)cc1
InChIInChI=1S/C17H22N6/c1-12-5-7-14(8-6-12)15(22(3)4)10-18-16-9-13(2)21-17-19-11-20-23(16)17/h5-9,11,15,18H,10H2,1-4H3
InChIKeyIRTLKTZEXDEEMS-UHFFFAOYSA-N
XLogP2.46
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-diphenylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3228693
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
1-(3,4-difluorophenyl)-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 51079447
5-methyl-N-(2-phenylsulfanylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324638
N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine
CID 80505333
5-methyl-N-(2-methylsulfinylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 113336552
5-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 39771868
7-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 51585086
5-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 32680974
4-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoic acid
CID 82683204
2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol
CID 115598697
1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
CID 115702113

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methylphenyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-(4-methylphenyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine (CID 138988417) is N,N-dimethyl-1-(4-methylphenyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-(4-methylphenyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-(4-methylphenyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine is Cc1ccc(C(CNc2cc(C)nc3ncnn23)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-1-(4-methylphenyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The InChIKey is IRTLKTZEXDEEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-12-5-7-14(8-6-12)15(22(3)4)10-18-16-9-13(2)21-17-19-11-20-23(16)17/h5-9,11,15,18H,10H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(4-methylphenyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
N,N-dimethyl-1-(4-methylphenyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine has a molecular weight of 310.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methylphenyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine is sourced from PubChem (CID 138988417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).