3-N-[4-(diethylamino)-2-methylphenyl]-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine

C20H32N6 — CID 112960914

IUPAC3-N-[4-(diethylamino)-2-methylphenyl]-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
SMILESCCCN(CCC)c1cnnc(Nc2ccc(N(CC)CC)cc2C)n1
InChIInChI=1S/C20H32N6/c1-6-12-26(13-7-2)19-15-21-24-20(23-19)22-18-11-10-17(14-16(18)5)25(8-3)9-4/h10-11,14-15H,6-9,12-13H2,1-5H3,(H,22,23,24)
InChIKeyWLTVOTYLKZBNRT-UHFFFAOYSA-N
MW356.52 g/mol
LogP4.40
Rot. Bonds10

About 3-N-[4-(diethylamino)-2-methylphenyl]-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine

3-N-[4-(diethylamino)-2-methylphenyl]-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine (PubChem CID 112960914) has the molecular formula C20H32N6 and a molecular weight of 356.52 g/mol. Its IUPAC name is 3-N-[4-(diethylamino)-2-methylphenyl]-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-[4-(diethylamino)-2-methylphenyl]-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
PubChem CID112960914
Molecular FormulaC20H32N6
Molecular Weight356.52 g/mol
Exact Mass356.27
IUPAC Name3-N-[4-(diethylamino)-2-methylphenyl]-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
SMILESCCCN(CCC)c1cnnc(Nc2ccc(N(CC)CC)cc2C)n1
InChIInChI=1S/C20H32N6/c1-6-12-26(13-7-2)19-15-21-24-20(23-19)22-18-11-10-17(14-16(18)5)25(8-3)9-4/h10-11,14-15H,6-9,12-13H2,1-5H3,(H,22,23,24)
InChIKeyWLTVOTYLKZBNRT-UHFFFAOYSA-N
XLogP4.40
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-N-(2,5-dimethylphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960826
4-N,4-N-diethyl-2-methyl-1-N-[5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-yl]benzene-1,4-diamine
CID 112945940
3-N-[4-(diethylamino)-2-methylphenyl]-5-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112943468
3-N-[4-(diethylamino)-2-methylphenyl]-5-N-[(4-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950013
5-N-[4-(diethylamino)-2-methylphenyl]-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967184
5-N-[4-(diethylamino)phenyl]-3-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963087
3-N-benzyl-5-N-[4-(diethylamino)-2-methylphenyl]-1,2,4-triazine-3,5-diamine
CID 112947851
5-N-[4-(diethylamino)-2-methylphenyl]-3-N-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948862
3-[4-(diethylamino)-2-methylanilino]-4H-1,2,4-triazin-5-one
CID 136779233
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
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902106

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-(diethylamino)-2-methylphenyl]-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-[4-(diethylamino)-2-methylphenyl]-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine (CID 112960914) is 3-N-[4-(diethylamino)-2-methylphenyl]-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-[4-(diethylamino)-2-methylphenyl]-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-[4-(diethylamino)-2-methylphenyl]-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine is CCCN(CCC)c1cnnc(Nc2ccc(N(CC)CC)cc2C)n1.
What is the InChIKey of 3-N-[4-(diethylamino)-2-methylphenyl]-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine?
The InChIKey is WLTVOTYLKZBNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6/c1-6-12-26(13-7-2)19-15-21-24-20(23-19)22-18-11-10-17(14-16(18)5)25(8-3)9-4/h10-11,14-15H,6-9,12-13H2,1-5H3,(H,22,23,24).
What are the key properties of 3-N-[4-(diethylamino)-2-methylphenyl]-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine?
3-N-[4-(diethylamino)-2-methylphenyl]-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine has a molecular weight of 356.52 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-(diethylamino)-2-methylphenyl]-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112960914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).