5-N-(2-methyl-6-propan-2-ylphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine

C16H23N5 — CID 112938601

IUPAC5-N-(2-methyl-6-propan-2-ylphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine
SMILESCCCNc1nncc(Nc2c(C)cccc2C(C)C)n1
InChIInChI=1S/C16H23N5/c1-5-9-17-16-20-14(10-18-21-16)19-15-12(4)7-6-8-13(15)11(2)3/h6-8,10-11H,5,9H2,1-4H3,(H2,17,19,20,21)
InChIKeyUFXYLMXKFFZQCT-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.87
Rot. Bonds6

About 5-N-(2-methyl-6-propan-2-ylphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine

5-N-(2-methyl-6-propan-2-ylphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine (PubChem CID 112938601) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-N-(2-methyl-6-propan-2-ylphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-methyl-6-propan-2-ylphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine
PubChem CID112938601
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name5-N-(2-methyl-6-propan-2-ylphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine
SMILESCCCNc1nncc(Nc2c(C)cccc2C(C)C)n1
InChIInChI=1S/C16H23N5/c1-5-9-17-16-20-14(10-18-21-16)19-15-12(4)7-6-8-13(15)11(2)3/h6-8,10-11H,5,9H2,1-4H3,(H2,17,19,20,21)
InChIKeyUFXYLMXKFFZQCT-UHFFFAOYSA-N
XLogP3.87
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-methyl-6-propan-2-ylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112881957
5-N-(2-methyl-6-propan-2-ylphenyl)-3-N-(pyridin-3-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112952385
3-N-[2-(3-methoxyphenyl)ethyl]-5-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112954271
2-methyl-4-N-(2-methyl-6-propan-2-ylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 112867245
3-N-(3-bromophenyl)-5-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112965107
3-N-cyclohexyl-5-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112942474
5-N-(2,6-dimethylphenyl)-3-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112943567
5-N-(4-methoxyphenyl)-3-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112965132
5-N-[(2-chlorophenyl)methyl]-3-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112950254
3-N,5-N-bis(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963643
5-N-[2,6-di(propan-2-yl)phenyl]-3-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112951283
3-N-benzyl-3-N-ethyl-5-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951760

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methyl-6-propan-2-ylphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(2-methyl-6-propan-2-ylphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine (CID 112938601) is 5-N-(2-methyl-6-propan-2-ylphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(2-methyl-6-propan-2-ylphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(2-methyl-6-propan-2-ylphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine is CCCNc1nncc(Nc2c(C)cccc2C(C)C)n1.
What is the InChIKey of 5-N-(2-methyl-6-propan-2-ylphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine?
The InChIKey is UFXYLMXKFFZQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-5-9-17-16-20-14(10-18-21-16)19-15-12(4)7-6-8-13(15)11(2)3/h6-8,10-11H,5,9H2,1-4H3,(H2,17,19,20,21).
What are the key properties of 5-N-(2-methyl-6-propan-2-ylphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine?
5-N-(2-methyl-6-propan-2-ylphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine has a molecular weight of 285.39 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methyl-6-propan-2-ylphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112938601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).