5-N-butyl-5-N-methyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine

C15H21N5 — CID 112960034

IUPAC5-N-butyl-5-N-methyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCCCN(C)c1cnnc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C15H21N5/c1-4-5-10-20(3)14-11-16-19-15(18-14)17-13-8-6-12(2)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyMAOWHHYYWQJLKE-UHFFFAOYSA-N
MW271.37 g/mol
LogP3.16
Rot. Bonds6

About 5-N-butyl-5-N-methyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine

5-N-butyl-5-N-methyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112960034) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 5-N-butyl-5-N-methyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-butyl-5-N-methyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112960034
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name5-N-butyl-5-N-methyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCCCN(C)c1cnnc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C15H21N5/c1-4-5-10-20(3)14-11-16-19-15(18-14)17-13-8-6-12(2)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19)
InChIKeyMAOWHHYYWQJLKE-UHFFFAOYSA-N
XLogP3.16
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-butyl-5-N-methyl-3-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112960083
5-N-butyl-3-N-(3-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112960060
5-N-butyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112939963
5-N-benzyl-5-N-ethyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951598
5-N-butyl-3-N-(furan-2-ylmethyl)-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112947400
5-N-ethyl-5-N-(3-methylphenyl)-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962353
5-N-benzyl-3-N-(4-methylphenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959379
5-N-butyl-3-N-[2-(3-methoxyphenyl)ethyl]-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112954244
3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-butyl-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112951460
5-N,5-N-diethyl-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112958215
3-N-(4-bromo-3-methylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112954659
3-N-(3-bromo-4-methylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112954624

Frequently Asked Questions

What is the IUPAC name of 5-N-butyl-5-N-methyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-butyl-5-N-methyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine (CID 112960034) is 5-N-butyl-5-N-methyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-butyl-5-N-methyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-butyl-5-N-methyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine is CCCCN(C)c1cnnc(Nc2ccc(C)cc2)n1.
What is the InChIKey of 5-N-butyl-5-N-methyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is MAOWHHYYWQJLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-5-10-20(3)14-11-16-19-15(18-14)17-13-8-6-12(2)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,19).
What are the key properties of 5-N-butyl-5-N-methyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine?
5-N-butyl-5-N-methyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 271.37 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butyl-5-N-methyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112960034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).