aminothiourea;1,3,5-triazine

C4H8N6S — CID 175354534

IUPACaminothiourea;1,3,5-triazine
SMILESNNC(N)=S.c1ncncn1
InChIInChI=1S/C3H3N3.CH5N3S/c1-4-2-6-3-5-1;2-1(5)4-3/h1-3H;3H2,(H3,2,4,5)
InChIKeyJTYYTWHQJHDDGE-UHFFFAOYSA-N
MW172.22 g/mol
LogP-1.44
Rot. Bonds

About aminothiourea;1,3,5-triazine

aminothiourea;1,3,5-triazine (PubChem CID 175354534) has the molecular formula C4H8N6S and a molecular weight of 172.22 g/mol. Its IUPAC name is aminothiourea;1,3,5-triazine.

Molecular Properties

Compound Nameaminothiourea;1,3,5-triazine
PubChem CID175354534
Molecular FormulaC4H8N6S
Molecular Weight172.22 g/mol
Exact Mass172.05
IUPAC Nameaminothiourea;1,3,5-triazine
SMILESNNC(N)=S.c1ncncn1
InChIInChI=1S/C3H3N3.CH5N3S/c1-4-2-6-3-5-1;2-1(5)4-3/h1-3H;3H2,(H3,2,4,5)
InChIKeyJTYYTWHQJHDDGE-UHFFFAOYSA-N
XLogP-1.44
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aminothiourea;1,3,5-triazine?
The IUPAC name of aminothiourea;1,3,5-triazine (CID 175354534) is aminothiourea;1,3,5-triazine.
What is the SMILES notation for aminothiourea;1,3,5-triazine?
The canonical SMILES for aminothiourea;1,3,5-triazine is NNC(N)=S.c1ncncn1.
What is the InChIKey of aminothiourea;1,3,5-triazine?
The InChIKey is JTYYTWHQJHDDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.CH5N3S/c1-4-2-6-3-5-1;2-1(5)4-3/h1-3H;3H2,(H3,2,4,5).
What are the key properties of aminothiourea;1,3,5-triazine?
aminothiourea;1,3,5-triazine has a molecular weight of 172.22 g/mol, XLogP of -1.44, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aminothiourea;1,3,5-triazine is sourced from PubChem (CID 175354534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).