N-methylsulfanyl-N-prop-2-enyl-1,3,5-triazin-2-amine

C7H10N4S — CID 88680962

IUPACN-methylsulfanyl-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCN(SC)c1ncncn1
InChIInChI=1S/C7H10N4S/c1-3-4-11(12-2)7-9-5-8-6-10-7/h3,5-6H,1,4H2,2H3
InChIKeyHPAHLIDBEMXUKW-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.14
Rot. Bonds4

About N-methylsulfanyl-N-prop-2-enyl-1,3,5-triazin-2-amine

N-methylsulfanyl-N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 88680962) has the molecular formula C7H10N4S and a molecular weight of 182.25 g/mol. Its IUPAC name is N-methylsulfanyl-N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methylsulfanyl-N-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID88680962
Molecular FormulaC7H10N4S
Molecular Weight182.25 g/mol
Exact Mass182.06
IUPAC NameN-methylsulfanyl-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCN(SC)c1ncncn1
InChIInChI=1S/C7H10N4S/c1-3-4-11(12-2)7-9-5-8-6-10-7/h3,5-6H,1,4H2,2H3
InChIKeyHPAHLIDBEMXUKW-UHFFFAOYSA-N
XLogP1.14
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
CID 22987609
4-methylsulfanyl-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
CID 70256012
N-prop-2-enyl-N-(1,3,5-triazin-2-yl)thiohydroxylamine
CID 88833490
S-[prop-2-enyl(1,3,5-triazin-2-yl)amino] carbamothioate
CID 88837011

Frequently Asked Questions

What is the IUPAC name of N-methylsulfanyl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of N-methylsulfanyl-N-prop-2-enyl-1,3,5-triazin-2-amine (CID 88680962) is N-methylsulfanyl-N-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methylsulfanyl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-methylsulfanyl-N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCN(SC)c1ncncn1.
What is the InChIKey of N-methylsulfanyl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is HPAHLIDBEMXUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S/c1-3-4-11(12-2)7-9-5-8-6-10-7/h3,5-6H,1,4H2,2H3.
What are the key properties of N-methylsulfanyl-N-prop-2-enyl-1,3,5-triazin-2-amine?
N-methylsulfanyl-N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 182.25 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfanyl-N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 88680962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).