1-prop-2-enyl-2,4-dihydrotriazine-3,5-diamine

C6H13N5 — CID 70273246

IUPAC1-prop-2-enyl-2,4-dihydrotriazine-3,5-diamine
SMILESC=CCN1C=C(N)CN(N)N1
InChIInChI=1S/C6H13N5/c1-2-3-10-4-6(7)5-11(8)9-10/h2,4,9H,1,3,5,7-8H2
InChIKeyMNHDWSFWWSMYNK-UHFFFAOYSA-N
MW155.20 g/mol
LogP-1.12
Rot. Bonds2

About 1-prop-2-enyl-2,4-dihydrotriazine-3,5-diamine

1-prop-2-enyl-2,4-dihydrotriazine-3,5-diamine (PubChem CID 70273246) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-prop-2-enyl-2,4-dihydrotriazine-3,5-diamine.

Molecular Properties

Compound Name1-prop-2-enyl-2,4-dihydrotriazine-3,5-diamine
PubChem CID70273246
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC Name1-prop-2-enyl-2,4-dihydrotriazine-3,5-diamine
SMILESC=CCN1C=C(N)CN(N)N1
InChIInChI=1S/C6H13N5/c1-2-3-10-4-6(7)5-11(8)9-10/h2,4,9H,1,3,5,7-8H2
InChIKeyMNHDWSFWWSMYNK-UHFFFAOYSA-N
XLogP-1.12
TPSA70.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triaminotriazine
CID 22138291
p-Diaminopyridine
CID 22259988
Metadiaminopyridine
CID 67060954
2H-pyridine-1,5-diamine
CID 67060953
Pyrazolo[1,5-a]pyrazine-1,5-diamine
CID 69462241
(Z)-3-[amino(2-aminoethyl)amino]prop-2-ene-1,2-diamine
CID 89908543
3-Methyl-6-methylidene-1,2-dihydrotriazine
CID 123273085
(2Z)-2-(1-aminoethylidene)pyridin-1-amine
CID 130247524
(1E)-1-[amino(methyl)amino]buta-1,3-dien-2-amine
CID 132096780
2-ethyl-1H-pyridazin-4-amine
CID 137384164
2H-pyridine-1,3,5-triamine
CID 139626540
1-Methyl-2,4-dihydrotriazine-3,5-diamine
CID 139712983

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-2,4-dihydrotriazine-3,5-diamine?
The IUPAC name of 1-prop-2-enyl-2,4-dihydrotriazine-3,5-diamine (CID 70273246) is 1-prop-2-enyl-2,4-dihydrotriazine-3,5-diamine.
What is the SMILES notation for 1-prop-2-enyl-2,4-dihydrotriazine-3,5-diamine?
The canonical SMILES for 1-prop-2-enyl-2,4-dihydrotriazine-3,5-diamine is C=CCN1C=C(N)CN(N)N1.
What is the InChIKey of 1-prop-2-enyl-2,4-dihydrotriazine-3,5-diamine?
The InChIKey is MNHDWSFWWSMYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c1-2-3-10-4-6(7)5-11(8)9-10/h2,4,9H,1,3,5,7-8H2.
What are the key properties of 1-prop-2-enyl-2,4-dihydrotriazine-3,5-diamine?
1-prop-2-enyl-2,4-dihydrotriazine-3,5-diamine has a molecular weight of 155.20 g/mol, XLogP of -1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2,4-dihydrotriazine-3,5-diamine is sourced from PubChem (CID 70273246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).