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

C14H17N5 — CID 112939384

IUPAC3-N-cyclopropyl-5-N-(2,3-dimethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1cccc(Nc2cnnc(NC3CC3)n2)c1C
InChIInChI=1S/C14H17N5/c1-9-4-3-5-12(10(9)2)17-13-8-15-19-14(18-13)16-11-6-7-11/h3-5,8,11H,6-7H2,1-2H3,(H2,16,17,18,19)
InChIKeyDKIFJQGMCMZAQL-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.81
Rot. Bonds4

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

3-N-cyclopropyl-5-N-(2,3-dimethylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112939384) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-N-cyclopropyl-5-N-(2,3-dimethylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-5-N-(2,3-dimethylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112939384
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name3-N-cyclopropyl-5-N-(2,3-dimethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCc1cccc(Nc2cnnc(NC3CC3)n2)c1C
InChIInChI=1S/C14H17N5/c1-9-4-3-5-12(10(9)2)17-13-8-15-19-14(18-13)16-11-6-7-11/h3-5,8,11H,6-7H2,1-2H3,(H2,16,17,18,19)
InChIKeyDKIFJQGMCMZAQL-UHFFFAOYSA-N
XLogP2.81
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(3-chloro-2-methylphenyl)-3-N-cyclohexyl-1,2,4-triazine-3,5-diamine
CID 112942482
5-N-(2,3-dimethylphenyl)-3-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963388
5-N-(2,3-dimethylphenyl)-3-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963040
3-N-benzyl-5-N-(2,3-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947766
3-N-butan-2-yl-5-N-(2,3-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112940943
5-N-(2,3-dimethylphenyl)-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112963838
3-N-cycloheptyl-5-N-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112959354
3-N-cyclohexyl-5-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112942477
3-N-(2,3-dimethylphenyl)-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963302
ethyl 4-[[5-(2-methylanilino)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112956941
5-N-(5-chloro-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941727
5-N-(4-bromo-2-methylphenyl)-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941773

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-5-N-(2,3-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-cyclopropyl-5-N-(2,3-dimethylphenyl)-1,2,4-triazine-3,5-diamine (CID 112939384) is 3-N-cyclopropyl-5-N-(2,3-dimethylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-cyclopropyl-5-N-(2,3-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-cyclopropyl-5-N-(2,3-dimethylphenyl)-1,2,4-triazine-3,5-diamine is Cc1cccc(Nc2cnnc(NC3CC3)n2)c1C.
What is the InChIKey of 3-N-cyclopropyl-5-N-(2,3-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is DKIFJQGMCMZAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-9-4-3-5-12(10(9)2)17-13-8-15-19-14(18-13)16-11-6-7-11/h3-5,8,11H,6-7H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 3-N-cyclopropyl-5-N-(2,3-dimethylphenyl)-1,2,4-triazine-3,5-diamine?
3-N-cyclopropyl-5-N-(2,3-dimethylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 255.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-5-N-(2,3-dimethylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112939384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).