4-(ethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile

C7H9N5O — CID 167491724

IUPAC4-(ethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile
SMILESCCNc1nc(C#N)nc(OC)n1
InChIInChI=1S/C7H9N5O/c1-3-9-6-10-5(4-8)11-7(12-6)13-2/h3H2,1-2H3,(H,9,10,11,12)
InChIKeyHJWHHBRMPPFKLZ-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.18
Rot. Bonds3

About 4-(ethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile

4-(ethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile (PubChem CID 167491724) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 4-(ethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-(ethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile
PubChem CID167491724
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name4-(ethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile
SMILESCCNc1nc(C#N)nc(OC)n1
InChIInChI=1S/C7H9N5O/c1-3-9-6-10-5(4-8)11-7(12-6)13-2/h3H2,1-2H3,(H,9,10,11,12)
InChIKeyHJWHHBRMPPFKLZ-UHFFFAOYSA-N
XLogP0.18
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 672105
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CID 644401
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CID 709138
CID 709138
CID 35107
CID 35107
CID 21311
CID 21311
CID 21313
CID 21313
CID 199905
CID 199905
CID 71351060
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CID 199906
CID 199906

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-(ethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile (CID 167491724) is 4-(ethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-(ethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-(ethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile is CCNc1nc(C#N)nc(OC)n1.
What is the InChIKey of 4-(ethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile?
The InChIKey is HJWHHBRMPPFKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-3-9-6-10-5(4-8)11-7(12-6)13-2/h3H2,1-2H3,(H,9,10,11,12).
What are the key properties of 4-(ethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile?
4-(ethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile has a molecular weight of 179.18 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 167491724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).