7-N-cyclohexyl-2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

C15H19N7O — CID 127035832

IUPAC7-N-cyclohexyl-2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESCNc1nc(NC2CCCCC2)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C15H19N7O/c1-16-13-19-14(17-10-6-3-2-4-7-10)22-15(20-13)18-12(21-22)11-8-5-9-23-11/h5,8-10H,2-4,6-7H2,1H3,(H2,16,17,18,19,20,21)
InChIKeyIGCQNEVNGQSBBH-UHFFFAOYSA-N
MW313.37 g/mol
LogP2.57
Rot. Bonds4

About 7-N-cyclohexyl-2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine

7-N-cyclohexyl-2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (PubChem CID 127035832) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 7-N-cyclohexyl-2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.

Molecular Properties

Compound Name7-N-cyclohexyl-2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
PubChem CID127035832
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name7-N-cyclohexyl-2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
SMILESCNc1nc(NC2CCCCC2)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C15H19N7O/c1-16-13-19-14(17-10-6-3-2-4-7-10)22-15(20-13)18-12(21-22)11-8-5-9-23-11/h5,8-10H,2-4,6-7H2,1H3,(H2,16,17,18,19,20,21)
InChIKeyIGCQNEVNGQSBBH-UHFFFAOYSA-N
XLogP2.57
TPSA93.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-N-cyclohexyl-2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The IUPAC name of 7-N-cyclohexyl-2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine (CID 127035832) is 7-N-cyclohexyl-2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine.
What is the SMILES notation for 7-N-cyclohexyl-2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The canonical SMILES for 7-N-cyclohexyl-2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is CNc1nc(NC2CCCCC2)n2nc(-c3ccco3)nc2n1.
What is the InChIKey of 7-N-cyclohexyl-2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
The InChIKey is IGCQNEVNGQSBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-16-13-19-14(17-10-6-3-2-4-7-10)22-15(20-13)18-12(21-22)11-8-5-9-23-11/h5,8-10H,2-4,6-7H2,1H3,(H2,16,17,18,19,20,21).
What are the key properties of 7-N-cyclohexyl-2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine?
7-N-cyclohexyl-2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine has a molecular weight of 313.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-cyclohexyl-2-(furan-2-yl)-5-N-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine is sourced from PubChem (CID 127035832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).