3-N-prop-2-enyl-5-N-propyl-1,2,4-triazine-3,5-diamine

C9H15N5 — CID 112938292

IUPAC3-N-prop-2-enyl-5-N-propyl-1,2,4-triazine-3,5-diamine
SMILESC=CCNc1nncc(NCCC)n1
InChIInChI=1S/C9H15N5/c1-3-5-10-8-7-12-14-9(13-8)11-6-4-2/h4,7H,2-3,5-6H2,1H3,(H2,10,11,13,14)
InChIKeyWDEZVSNXPQIEFX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.29
Rot. Bonds6

About 3-N-prop-2-enyl-5-N-propyl-1,2,4-triazine-3,5-diamine

3-N-prop-2-enyl-5-N-propyl-1,2,4-triazine-3,5-diamine (PubChem CID 112938292) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-N-prop-2-enyl-5-N-propyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-prop-2-enyl-5-N-propyl-1,2,4-triazine-3,5-diamine
PubChem CID112938292
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name3-N-prop-2-enyl-5-N-propyl-1,2,4-triazine-3,5-diamine
SMILESC=CCNc1nncc(NCCC)n1
InChIInChI=1S/C9H15N5/c1-3-5-10-8-7-12-14-9(13-8)11-6-4-2/h4,7H,2-3,5-6H2,1H3,(H2,10,11,13,14)
InChIKeyWDEZVSNXPQIEFX-UHFFFAOYSA-N
XLogP1.29
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-N-pentyl-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938570
3-N-(3-methoxypropyl)-5-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939491
5-N-benzyl-3-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939697
3-N-prop-2-enyl-5-N-(pyridin-4-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112939713
5-N-[2-(2,4-dichlorophenyl)ethyl]-3-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939761
3-N-prop-2-enyl-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112939783
3-N-(4-tert-butylphenyl)-5-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939591
5-N-tert-butyl-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938566
3-N-prop-2-enyl-5-N-(pyridin-3-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112939712
3-N-[(3-methylphenyl)methyl]-5-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939503
3-N-(3-phenylpropyl)-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938364
5-N-prop-2-enyl-3-N-(pyridin-3-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112939516

Frequently Asked Questions

What is the IUPAC name of 3-N-prop-2-enyl-5-N-propyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-prop-2-enyl-5-N-propyl-1,2,4-triazine-3,5-diamine (CID 112938292) is 3-N-prop-2-enyl-5-N-propyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-prop-2-enyl-5-N-propyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-prop-2-enyl-5-N-propyl-1,2,4-triazine-3,5-diamine is C=CCNc1nncc(NCCC)n1.
What is the InChIKey of 3-N-prop-2-enyl-5-N-propyl-1,2,4-triazine-3,5-diamine?
The InChIKey is WDEZVSNXPQIEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-3-5-10-8-7-12-14-9(13-8)11-6-4-2/h4,7H,2-3,5-6H2,1H3,(H2,10,11,13,14).
What are the key properties of 3-N-prop-2-enyl-5-N-propyl-1,2,4-triazine-3,5-diamine?
3-N-prop-2-enyl-5-N-propyl-1,2,4-triazine-3,5-diamine has a molecular weight of 193.25 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-prop-2-enyl-5-N-propyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112938292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).