3-N-(2,5-dimethylphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine

C17H25N5 — CID 112960826

IUPAC3-N-(2,5-dimethylphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
SMILESCCCN(CCC)c1cnnc(Nc2cc(C)ccc2C)n1
InChIInChI=1S/C17H25N5/c1-5-9-22(10-6-2)16-12-18-21-17(20-16)19-15-11-13(3)7-8-14(15)4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,19,20,21)
InChIKeyGJNHIRYWASMGLP-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.86
Rot. Bonds7

About 3-N-(2,5-dimethylphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine

3-N-(2,5-dimethylphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine (PubChem CID 112960826) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-N-(2,5-dimethylphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(2,5-dimethylphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
PubChem CID112960826
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name3-N-(2,5-dimethylphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
SMILESCCCN(CCC)c1cnnc(Nc2cc(C)ccc2C)n1
InChIInChI=1S/C17H25N5/c1-5-9-22(10-6-2)16-12-18-21-17(20-16)19-15-11-13(3)7-8-14(15)4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,19,20,21)
InChIKeyGJNHIRYWASMGLP-UHFFFAOYSA-N
XLogP3.86
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[4-(diethylamino)-2-methylphenyl]-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960914
3-N-(3-bromophenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960892
3-N-(3,4-dimethoxyphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960867
3-N-(2,5-dimethylphenyl)-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963213
4-N-(2,5-dimethylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112901279
3-N-(5-chloro-2-methylphenyl)-5-N-(2,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963144
3-N-cyclopropyl-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112939367
5-N-benzyl-5-N-ethyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951614
5-N-(4-chloro-2-methylphenyl)-3-N-(2,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963232
5-N-(3,4-dichlorophenyl)-3-N-(2,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963281
2-N-(2,5-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589380
5-N-[4-(diethylamino)phenyl]-3-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963087

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,5-dimethylphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(2,5-dimethylphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine (CID 112960826) is 3-N-(2,5-dimethylphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(2,5-dimethylphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(2,5-dimethylphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine is CCCN(CCC)c1cnnc(Nc2cc(C)ccc2C)n1.
What is the InChIKey of 3-N-(2,5-dimethylphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine?
The InChIKey is GJNHIRYWASMGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-5-9-22(10-6-2)16-12-18-21-17(20-16)19-15-11-13(3)7-8-14(15)4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,19,20,21).
What are the key properties of 3-N-(2,5-dimethylphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine?
3-N-(2,5-dimethylphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine has a molecular weight of 299.42 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,5-dimethylphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112960826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).