N-prop-2-enyl-N-(1,3,5-triazin-2-yl)thiohydroxylamine

C6H8N4S — CID 88833490

IUPACN-prop-2-enyl-N-(1,3,5-triazin-2-yl)thiohydroxylamine
SMILESC=CCN(S)c1ncncn1
InChIInChI=1S/C6H8N4S/c1-2-3-10(11)6-8-4-7-5-9-6/h2,4-5,11H,1,3H2
InChIKeyGYAFIKMVQODPPK-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.71
Rot. Bonds3

About N-prop-2-enyl-N-(1,3,5-triazin-2-yl)thiohydroxylamine

N-prop-2-enyl-N-(1,3,5-triazin-2-yl)thiohydroxylamine (PubChem CID 88833490) has the molecular formula C6H8N4S and a molecular weight of 168.22 g/mol. Its IUPAC name is N-prop-2-enyl-N-(1,3,5-triazin-2-yl)thiohydroxylamine.

Molecular Properties

Compound NameN-prop-2-enyl-N-(1,3,5-triazin-2-yl)thiohydroxylamine
PubChem CID88833490
Molecular FormulaC6H8N4S
Molecular Weight168.22 g/mol
Exact Mass168.05
IUPAC NameN-prop-2-enyl-N-(1,3,5-triazin-2-yl)thiohydroxylamine
SMILESC=CCN(S)c1ncncn1
InChIInChI=1S/C6H8N4S/c1-2-3-10(11)6-8-4-7-5-9-6/h2,4-5,11H,1,3H2
InChIKeyGYAFIKMVQODPPK-UHFFFAOYSA-N
XLogP0.71
TPSA41.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 10986425
Allyl(1,3,5-triazin-2-yl)cyanamide
CID 88848466
4-N,4-N-dimethyl-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 298159
4-chloro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
CID 19739695
N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
CID 22987609
Allyl-[1,3,5]triazin-2-yl-amine
CID 54016589
2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 54418415
N-prop-2-enyl-N-(1,3,5-triazin-2-yl)hydroxylamine
CID 87733626
N-methylsulfanyl-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 88680962
N-prop-2-enylthiohydroxylamine;1,3,5-triazine
CID 88831918
(4-Chloro-1,3,5-triazin-2-yl)-prop-2-enylcyanamide
CID 88836842
S-[prop-2-enyl(1,3,5-triazin-2-yl)amino] carbamothioate
CID 88837011

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-(1,3,5-triazin-2-yl)thiohydroxylamine?
The IUPAC name of N-prop-2-enyl-N-(1,3,5-triazin-2-yl)thiohydroxylamine (CID 88833490) is N-prop-2-enyl-N-(1,3,5-triazin-2-yl)thiohydroxylamine.
What is the SMILES notation for N-prop-2-enyl-N-(1,3,5-triazin-2-yl)thiohydroxylamine?
The canonical SMILES for N-prop-2-enyl-N-(1,3,5-triazin-2-yl)thiohydroxylamine is C=CCN(S)c1ncncn1.
What is the InChIKey of N-prop-2-enyl-N-(1,3,5-triazin-2-yl)thiohydroxylamine?
The InChIKey is GYAFIKMVQODPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4S/c1-2-3-10(11)6-8-4-7-5-9-6/h2,4-5,11H,1,3H2.
What are the key properties of N-prop-2-enyl-N-(1,3,5-triazin-2-yl)thiohydroxylamine?
N-prop-2-enyl-N-(1,3,5-triazin-2-yl)thiohydroxylamine has a molecular weight of 168.22 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-(1,3,5-triazin-2-yl)thiohydroxylamine is sourced from PubChem (CID 88833490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).