2-amino-6-(1-propylcyclopropyl)-1H-1,3,5-triazine-4-thione

C9H14N4S — CID 130554012

IUPAC2-amino-6-(1-propylcyclopropyl)-1H-1,3,5-triazine-4-thione
SMILESCCCC1(c2nc(=S)nc(N)[nH]2)CC1
InChIInChI=1S/C9H14N4S/c1-2-3-9(4-5-9)6-11-7(10)13-8(14)12-6/h2-5H2,1H3,(H3,10,11,12,13,14)
InChIKeyIQFCBZVLUIUZPS-UHFFFAOYSA-N
MW210.31 g/mol
LogP1.95
Rot. Bonds3

About 2-amino-6-(1-propylcyclopropyl)-1H-1,3,5-triazine-4-thione

2-amino-6-(1-propylcyclopropyl)-1H-1,3,5-triazine-4-thione (PubChem CID 130554012) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 2-amino-6-(1-propylcyclopropyl)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-(1-propylcyclopropyl)-1H-1,3,5-triazine-4-thione
PubChem CID130554012
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name2-amino-6-(1-propylcyclopropyl)-1H-1,3,5-triazine-4-thione
SMILESCCCC1(c2nc(=S)nc(N)[nH]2)CC1
InChIInChI=1S/C9H14N4S/c1-2-3-9(4-5-9)6-11-7(10)13-8(14)12-6/h2-5H2,1H3,(H3,10,11,12,13,14)
InChIKeyIQFCBZVLUIUZPS-UHFFFAOYSA-N
XLogP1.95
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1-propylcyclopropyl)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-(1-propylcyclopropyl)-1H-1,3,5-triazine-4-thione (CID 130554012) is 2-amino-6-(1-propylcyclopropyl)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-(1-propylcyclopropyl)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-(1-propylcyclopropyl)-1H-1,3,5-triazine-4-thione is CCCC1(c2nc(=S)nc(N)[nH]2)CC1.
What is the InChIKey of 2-amino-6-(1-propylcyclopropyl)-1H-1,3,5-triazine-4-thione?
The InChIKey is IQFCBZVLUIUZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-2-3-9(4-5-9)6-11-7(10)13-8(14)12-6/h2-5H2,1H3,(H3,10,11,12,13,14).
What are the key properties of 2-amino-6-(1-propylcyclopropyl)-1H-1,3,5-triazine-4-thione?
2-amino-6-(1-propylcyclopropyl)-1H-1,3,5-triazine-4-thione has a molecular weight of 210.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1-propylcyclopropyl)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 130554012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).