2-N-[1-(furan-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

C11H12N8O — CID 80780901

IUPAC2-N-[1-(furan-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(-n2cncn2)n1)c1ccco1
InChIInChI=1S/C11H12N8O/c1-7(8-3-2-4-20-8)15-10-16-9(12)17-11(18-10)19-6-13-5-14-19/h2-7H,1H3,(H3,12,15,16,17,18)
InChIKeyPXQVAWYNDNPNSO-UHFFFAOYSA-N
MW272.27 g/mol
LogP0.80
Rot. Bonds4

About 2-N-[1-(furan-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

2-N-[1-(furan-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80780901) has the molecular formula C11H12N8O and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-N-[1-(furan-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(furan-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80780901
Molecular FormulaC11H12N8O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name2-N-[1-(furan-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(-n2cncn2)n1)c1ccco1
InChIInChI=1S/C11H12N8O/c1-7(8-3-2-4-20-8)15-10-16-9(12)17-11(18-10)19-6-13-5-14-19/h2-7H,1H3,(H3,12,15,16,17,18)
InChIKeyPXQVAWYNDNPNSO-UHFFFAOYSA-N
XLogP0.80
TPSA120.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-[1-(furan-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80766436
2-N-[1-(furan-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80774193
2-N-(4-methylpentan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80784608
3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80841727
2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80835736
2-N-(2-methylcyclopropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80826675
2-N-[(2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80772989
2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 80843254
1-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol
CID 80835940
2-N-[(3-chlorophenyl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80803262
2-N-[2-(dimethylamino)-2-methylpropyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80812261
2-N-(3,4-difluorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80736972

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(furan-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(furan-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 80780901) is 2-N-[1-(furan-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(furan-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(furan-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is CC(Nc1nc(N)nc(-n2cncn2)n1)c1ccco1.
What is the InChIKey of 2-N-[1-(furan-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is PXQVAWYNDNPNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N8O/c1-7(8-3-2-4-20-8)15-10-16-9(12)17-11(18-10)19-6-13-5-14-19/h2-7H,1H3,(H3,12,15,16,17,18).
What are the key properties of 2-N-[1-(furan-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
2-N-[1-(furan-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 272.27 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(furan-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80780901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).