3-N-(2-phenylethyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine

C14H19N5 — CID 112938729

IUPAC3-N-(2-phenylethyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCC(C)Nc1cnnc(NCCc2ccccc2)n1
InChIInChI=1S/C14H19N5/c1-11(2)17-13-10-16-19-14(18-13)15-9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,15,17,18,19)
InChIKeyJBFRKBMNQRDUDI-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.35
Rot. Bonds6

About 3-N-(2-phenylethyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine

3-N-(2-phenylethyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine (PubChem CID 112938729) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-N-(2-phenylethyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-phenylethyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
PubChem CID112938729
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name3-N-(2-phenylethyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCC(C)Nc1cnnc(NCCc2ccccc2)n1
InChIInChI=1S/C14H19N5/c1-11(2)17-13-10-16-19-14(18-13)15-9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,15,17,18,19)
InChIKeyJBFRKBMNQRDUDI-UHFFFAOYSA-N
XLogP2.35
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N,5-N-bis(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952784
3-N-[2-(2-methoxyphenyl)ethyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938733
3-N-(1-phenylethyl)-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112949051
3-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938744
2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882002
3-N-(2-methoxyethyl)-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112943506
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952800
5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112942216
5-N-(3-methylbutyl)-3-N-(3-phenylpropyl)-1,2,4-triazine-3,5-diamine
CID 112958548
3-N-(2-methylpropyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938692
3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952828
5-N-(3-methylphenyl)-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952987

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-phenylethyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(2-phenylethyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine (CID 112938729) is 3-N-(2-phenylethyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(2-phenylethyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(2-phenylethyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine is CC(C)Nc1cnnc(NCCc2ccccc2)n1.
What is the InChIKey of 3-N-(2-phenylethyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The InChIKey is JBFRKBMNQRDUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-11(2)17-13-10-16-19-14(18-13)15-9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H2,15,17,18,19).
What are the key properties of 3-N-(2-phenylethyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
3-N-(2-phenylethyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-phenylethyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112938729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).