6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine;prop-1-ene

C10H15N7S — CID 143757782

IUPAC6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine;prop-1-ene
SMILESC=CC.Cn1ccnc1Sc1nc(N)nc(N)n1
InChIInChI=1S/C7H9N7S.C3H6/c1-14-3-2-10-7(14)15-6-12-4(8)11-5(9)13-6;1-3-2/h2-3H,1H3,(H4,8,9,11,12,13);3H,1H2,2H3
InChIKeyTUTCPKVKDWINJP-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.11
Rot. Bonds2

About 6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine;prop-1-ene

6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine;prop-1-ene (PubChem CID 143757782) has the molecular formula C10H15N7S and a molecular weight of 265.35 g/mol. Its IUPAC name is 6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine;prop-1-ene.

Molecular Properties

Compound Name6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine;prop-1-ene
PubChem CID143757782
Molecular FormulaC10H15N7S
Molecular Weight265.35 g/mol
Exact Mass265.11
IUPAC Name6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine;prop-1-ene
SMILESC=CC.Cn1ccnc1Sc1nc(N)nc(N)n1
InChIInChI=1S/C7H9N7S.C3H6/c1-14-3-2-10-7(14)15-6-12-4(8)11-5(9)13-6;1-3-2/h2-3H,1H3,(H4,8,9,11,12,13);3H,1H2,2H3
InChIKeyTUTCPKVKDWINJP-UHFFFAOYSA-N
XLogP1.11
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine;prop-1-ene?
The IUPAC name of 6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine;prop-1-ene (CID 143757782) is 6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine;prop-1-ene.
What is the SMILES notation for 6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine;prop-1-ene?
The canonical SMILES for 6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine;prop-1-ene is C=CC.Cn1ccnc1Sc1nc(N)nc(N)n1.
What is the InChIKey of 6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine;prop-1-ene?
The InChIKey is TUTCPKVKDWINJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7S.C3H6/c1-14-3-2-10-7(14)15-6-12-4(8)11-5(9)13-6;1-3-2/h2-3H,1H3,(H4,8,9,11,12,13);3H,1H2,2H3.
What are the key properties of 6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine;prop-1-ene?
6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine;prop-1-ene has a molecular weight of 265.35 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine;prop-1-ene is sourced from PubChem (CID 143757782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).