5-N-cyclopropyl-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine

C15H19N5O — CID 112939131

IUPAC5-N-cyclopropyl-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
SMILESCOc1ccc(CCNc2nncc(NC3CC3)n2)cc1
InChIInChI=1S/C15H19N5O/c1-21-13-6-2-11(3-7-13)8-9-16-15-19-14(10-17-20-15)18-12-4-5-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H2,16,18,19,20)
InChIKeyOMCVSGDSCKDFIM-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.11
Rot. Bonds7

About 5-N-cyclopropyl-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine

5-N-cyclopropyl-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine (PubChem CID 112939131) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-N-cyclopropyl-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopropyl-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
PubChem CID112939131
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name5-N-cyclopropyl-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
SMILESCOc1ccc(CCNc2nncc(NC3CC3)n2)cc1
InChIInChI=1S/C15H19N5O/c1-21-13-6-2-11(3-7-13)8-9-16-15-19-14(10-17-20-15)18-12-4-5-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H2,16,18,19,20)
InChIKeyOMCVSGDSCKDFIM-UHFFFAOYSA-N
XLogP2.11
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112939328
5-N-(1,1-dioxothiolan-3-yl)-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954444
5-N-cyclopropyl-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112939128
5-N-cyclohexyl-3-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112942210
5-N-cyclopropyl-3-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112939096
5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112942216
5-N-(2,4-dimethoxyphenyl)-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954514
5-N-[2-(3-methoxyphenyl)ethyl]-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954114
3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954340
5-N-(2,5-dimethylphenyl)-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954476
5-N-[2-(3-chlorophenyl)ethyl]-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954466
5-N-(3,4-dichlorophenyl)-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954536

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-cyclopropyl-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine (CID 112939131) is 5-N-cyclopropyl-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-cyclopropyl-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-cyclopropyl-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine is COc1ccc(CCNc2nncc(NC3CC3)n2)cc1.
What is the InChIKey of 5-N-cyclopropyl-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine?
The InChIKey is OMCVSGDSCKDFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-21-13-6-2-11(3-7-13)8-9-16-15-19-14(10-17-20-15)18-12-4-5-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H2,16,18,19,20).
What are the key properties of 5-N-cyclopropyl-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine?
5-N-cyclopropyl-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine has a molecular weight of 285.35 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112939131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).