4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine

C12H18N6S — CID 107765392

IUPAC4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine
SMILESCCCCCSc1nc(NC)nc(-n2ccnc2)n1
InChIInChI=1S/C12H18N6S/c1-3-4-5-8-19-12-16-10(13-2)15-11(17-12)18-7-6-14-9-18/h6-7,9H,3-5,8H2,1-2H3,(H,13,15,16,17)
InChIKeyVXITXZPXPYOXBO-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.38
Rot. Bonds7

About 4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine

4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 107765392) has the molecular formula C12H18N6S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine
PubChem CID107765392
Molecular FormulaC12H18N6S
Molecular Weight278.38 g/mol
Exact Mass278.13
IUPAC Name4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine
SMILESCCCCCSc1nc(NC)nc(-n2ccnc2)n1
InChIInChI=1S/C12H18N6S/c1-3-4-5-8-19-12-16-10(13-2)15-11(17-12)18-7-6-14-9-18/h6-7,9H,3-5,8H2,1-2H3,(H,13,15,16,17)
InChIKeyVXITXZPXPYOXBO-UHFFFAOYSA-N
XLogP2.38
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890922
4-benzylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80872626
N-ethyl-4-imidazol-1-yl-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine
CID 80890058
4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80887416
4-butylsulfanyl-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80884142
4-N-butyl-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80754617
2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol
CID 80921833
4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine
CID 80893406
4-imidazol-1-yl-6-(1H-imidazol-2-ylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
CID 107784987
4-butylsulfanyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80885060
4-chloro-N-methyl-6-octylsulfanyl-1,3,5-triazin-2-amine
CID 167281206
6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771615

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine (CID 107765392) is 4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine is CCCCCSc1nc(NC)nc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is VXITXZPXPYOXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S/c1-3-4-5-8-19-12-16-10(13-2)15-11(17-12)18-7-6-14-9-18/h6-7,9H,3-5,8H2,1-2H3,(H,13,15,16,17).
What are the key properties of 4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine?
4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 278.38 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 107765392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).