4-hydrazinyl-6-propoxy-N-(thian-2-ylmethyl)-1,3,5-triazin-2-amine

C12H22N6OS — CID 80926866

IUPAC4-hydrazinyl-6-propoxy-N-(thian-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NCC2CCCCS2)n1
InChIInChI=1S/C12H22N6OS/c1-2-6-19-12-16-10(15-11(17-12)18-13)14-8-9-5-3-4-7-20-9/h9H,2-8,13H2,1H3,(H2,14,15,16,17,18)
InChIKeyHDDXSKQSYIOECI-UHFFFAOYSA-N
MW298.42 g/mol
LogP1.64
Rot. Bonds7

About 4-hydrazinyl-6-propoxy-N-(thian-2-ylmethyl)-1,3,5-triazin-2-amine

4-hydrazinyl-6-propoxy-N-(thian-2-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 80926866) has the molecular formula C12H22N6OS and a molecular weight of 298.42 g/mol. Its IUPAC name is 4-hydrazinyl-6-propoxy-N-(thian-2-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-propoxy-N-(thian-2-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID80926866
Molecular FormulaC12H22N6OS
Molecular Weight298.42 g/mol
Exact Mass298.16
IUPAC Name4-hydrazinyl-6-propoxy-N-(thian-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NCC2CCCCS2)n1
InChIInChI=1S/C12H22N6OS/c1-2-6-19-12-16-10(15-11(17-12)18-13)14-8-9-5-3-4-7-20-9/h9H,2-8,13H2,1H3,(H2,14,15,16,17,18)
InChIKeyHDDXSKQSYIOECI-UHFFFAOYSA-N
XLogP1.64
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-hydrazinyl-6-propoxy-N-(thian-2-ylmethyl)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-propoxy-N-(thian-2-ylmethyl)pyrimidin-2-amine
CID 112638269
3-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclobutan-1-ol
CID 80921761
(4-cyclopentyloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80909474
N-(1-cyclopentylethyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80911202
N-(2-cyclopropylpropan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 114112716
4-hydrazinyl-N-(2-methylcycloheptyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80925892
2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80926454
1-[[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 80909114
4-hydrazinyl-N-(thian-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80929006
6-methoxy-2-N-(thiolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80852421
[4-(cyclopropylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80912453
4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
CID 80932221

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-propoxy-N-(thian-2-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-propoxy-N-(thian-2-ylmethyl)-1,3,5-triazin-2-amine (CID 80926866) is 4-hydrazinyl-6-propoxy-N-(thian-2-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-propoxy-N-(thian-2-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-propoxy-N-(thian-2-ylmethyl)-1,3,5-triazin-2-amine is CCCOc1nc(NN)nc(NCC2CCCCS2)n1.
What is the InChIKey of 4-hydrazinyl-6-propoxy-N-(thian-2-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is HDDXSKQSYIOECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6OS/c1-2-6-19-12-16-10(15-11(17-12)18-13)14-8-9-5-3-4-7-20-9/h9H,2-8,13H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 4-hydrazinyl-6-propoxy-N-(thian-2-ylmethyl)-1,3,5-triazin-2-amine?
4-hydrazinyl-6-propoxy-N-(thian-2-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 298.42 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-propoxy-N-(thian-2-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80926866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).