1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile

C12H17N5O2 — CID 110172762

IUPAC1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile
SMILESCOc1nc(NC2(C#N)CCCCC2)nc(OC)n1
InChIInChI=1S/C12H17N5O2/c1-18-10-14-9(15-11(16-10)19-2)17-12(8-13)6-4-3-5-7-12/h3-7H2,1-2H3,(H,14,15,16,17)
InChIKeyGMNUNXQKBJTDCX-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.53
Rot. Bonds4

About 1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile

1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile (PubChem CID 110172762) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile
PubChem CID110172762
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile
SMILESCOc1nc(NC2(C#N)CCCCC2)nc(OC)n1
InChIInChI=1S/C12H17N5O2/c1-18-10-14-9(15-11(16-10)19-2)17-12(8-13)6-4-3-5-7-12/h3-7H2,1-2H3,(H,14,15,16,17)
InChIKeyGMNUNXQKBJTDCX-UHFFFAOYSA-N
XLogP1.53
TPSA92.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile (CID 110172762) is 1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile is COc1nc(NC2(C#N)CCCCC2)nc(OC)n1.
What is the InChIKey of 1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile?
The InChIKey is GMNUNXQKBJTDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-18-10-14-9(15-11(16-10)19-2)17-12(8-13)6-4-3-5-7-12/h3-7H2,1-2H3,(H,14,15,16,17).
What are the key properties of 1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile?
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile has a molecular weight of 263.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 110172762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).