5-N-[(3-methylphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine

C15H21N5 — CID 112940479

IUPAC5-N-[(3-methylphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
SMILESCc1cccc(CNc2cnnc(NCC(C)C)n2)c1
InChIInChI=1S/C15H21N5/c1-11(2)8-17-15-19-14(10-18-20-15)16-9-13-6-4-5-12(3)7-13/h4-7,10-11H,8-9H2,1-3H3,(H2,16,17,19,20)
InChIKeyVLKDYGGTZUAOMW-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.86
Rot. Bonds6

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

5-N-[(3-methylphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112940479) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 5-N-[(3-methylphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-[(3-methylphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
PubChem CID112940479
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name5-N-[(3-methylphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
SMILESCc1cccc(CNc2cnnc(NCC(C)C)n2)c1
InChIInChI=1S/C15H21N5/c1-11(2)8-17-15-19-14(10-18-20-15)16-9-13-6-4-5-12(3)7-13/h4-7,10-11H,8-9H2,1-3H3,(H2,16,17,19,20)
InChIKeyVLKDYGGTZUAOMW-UHFFFAOYSA-N
XLogP2.86
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[(3-methylphenyl)methyl]-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112948202
3-N-[(3-methylphenyl)methyl]-5-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939503
3-N-(2-methylpropyl)-5-N-(pyridin-3-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112940492
5-N-(3-methylphenyl)-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940546
5-N-(3,5-dimethylphenyl)-3-N-[(3-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948441
5-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940489
3-N-(2-methoxy-5-methylphenyl)-5-N-[(3-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948307
5-N-(3-methoxyphenyl)-3-N-[(3-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948471
5-N-(4-chloro-2-methylphenyl)-3-N-[(3-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948462
5-N-[(2-chlorophenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940485
3-N-(4-chloro-2,5-dimethoxyphenyl)-5-N-[(3-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948357
3-(azepan-1-yl)-N-[(3-methylphenyl)methyl]-1,2,4-triazin-5-amine
CID 112948261

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-methylphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-[(3-methylphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine (CID 112940479) is 5-N-[(3-methylphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-[(3-methylphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-[(3-methylphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine is Cc1cccc(CNc2cnnc(NCC(C)C)n2)c1.
What is the InChIKey of 5-N-[(3-methylphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is VLKDYGGTZUAOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11(2)8-17-15-19-14(10-18-20-15)16-9-13-6-4-5-12(3)7-13/h4-7,10-11H,8-9H2,1-3H3,(H2,16,17,19,20).
What are the key properties of 5-N-[(3-methylphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine?
5-N-[(3-methylphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-methylphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112940479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).