5-N-(2-methoxyethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine

C12H23N5O — CID 112943365

IUPAC5-N-(2-methoxyethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
SMILESCCCN(CCC)c1nncc(NCCOC)n1
InChIInChI=1S/C12H23N5O/c1-4-7-17(8-5-2)12-15-11(10-14-16-12)13-6-9-18-3/h10H,4-9H2,1-3H3,(H,13,15,16)
InChIKeyOZGUMUJRMNKTIG-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.56
Rot. Bonds9

About 5-N-(2-methoxyethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine

5-N-(2-methoxyethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine (PubChem CID 112943365) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-N-(2-methoxyethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-methoxyethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
PubChem CID112943365
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name5-N-(2-methoxyethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
SMILESCCCN(CCC)c1nncc(NCCOC)n1
InChIInChI=1S/C12H23N5O/c1-4-7-17(8-5-2)12-15-11(10-14-16-12)13-6-9-18-3/h10H,4-9H2,1-3H3,(H,13,15,16)
InChIKeyOZGUMUJRMNKTIG-UHFFFAOYSA-N
XLogP1.56
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-N-[2-(4-fluorophenyl)ethyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112953666
5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112947577
5-N-[(3,4-dimethoxyphenyl)methyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112956312
5-N-propan-2-yl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112938774
5-N-(3-bromo-4-methylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960966
5-N-(oxolan-2-ylmethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112944414
5-N-(1,3-benzodioxol-5-ylmethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112951342
5-N-(5-chloro-2-methylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960958
5-N-(4-phenoxyphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960998
5-N-(4-propan-2-ylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960946
5-N-(2-methoxyethyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112943370
3-N-[4-(diethylamino)-2-methylphenyl]-5-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112943468

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methoxyethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(2-methoxyethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine (CID 112943365) is 5-N-(2-methoxyethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(2-methoxyethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(2-methoxyethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine is CCCN(CCC)c1nncc(NCCOC)n1.
What is the InChIKey of 5-N-(2-methoxyethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
The InChIKey is OZGUMUJRMNKTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-7-17(8-5-2)12-15-11(10-14-16-12)13-6-9-18-3/h10H,4-9H2,1-3H3,(H,13,15,16).
What are the key properties of 5-N-(2-methoxyethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
5-N-(2-methoxyethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine has a molecular weight of 253.35 g/mol, XLogP of 1.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methoxyethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112943365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).