3-(4,6-diamino-1,3,5-triazin-2-yl)naphthalene-2-carbonitrile

C14H10N6 — CID 90962352

IUPAC3-(4,6-diamino-1,3,5-triazin-2-yl)naphthalene-2-carbonitrile
SMILESN#Cc1cc2ccccc2cc1-c1nc(N)nc(N)n1
InChIInChI=1S/C14H10N6/c15-7-10-5-8-3-1-2-4-9(8)6-11(10)12-18-13(16)20-14(17)19-12/h1-6H,(H4,16,17,18,19,20)
InChIKeyDLZJSUGWNUSCIM-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.73
Rot. Bonds1

About 3-(4,6-diamino-1,3,5-triazin-2-yl)naphthalene-2-carbonitrile

3-(4,6-diamino-1,3,5-triazin-2-yl)naphthalene-2-carbonitrile (PubChem CID 90962352) has the molecular formula C14H10N6 and a molecular weight of 262.28 g/mol. Its IUPAC name is 3-(4,6-diamino-1,3,5-triazin-2-yl)naphthalene-2-carbonitrile.

Molecular Properties

Compound Name3-(4,6-diamino-1,3,5-triazin-2-yl)naphthalene-2-carbonitrile
PubChem CID90962352
Molecular FormulaC14H10N6
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name3-(4,6-diamino-1,3,5-triazin-2-yl)naphthalene-2-carbonitrile
SMILESN#Cc1cc2ccccc2cc1-c1nc(N)nc(N)n1
InChIInChI=1S/C14H10N6/c15-7-10-5-8-3-1-2-4-9(8)6-11(10)12-18-13(16)20-14(17)19-12/h1-6H,(H4,16,17,18,19,20)
InChIKeyDLZJSUGWNUSCIM-UHFFFAOYSA-N
XLogP1.73
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diamino-1,3,5-triazin-2-yl)naphthalene-2-carbonitrile?
The IUPAC name of 3-(4,6-diamino-1,3,5-triazin-2-yl)naphthalene-2-carbonitrile (CID 90962352) is 3-(4,6-diamino-1,3,5-triazin-2-yl)naphthalene-2-carbonitrile.
What is the SMILES notation for 3-(4,6-diamino-1,3,5-triazin-2-yl)naphthalene-2-carbonitrile?
The canonical SMILES for 3-(4,6-diamino-1,3,5-triazin-2-yl)naphthalene-2-carbonitrile is N#Cc1cc2ccccc2cc1-c1nc(N)nc(N)n1.
What is the InChIKey of 3-(4,6-diamino-1,3,5-triazin-2-yl)naphthalene-2-carbonitrile?
The InChIKey is DLZJSUGWNUSCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6/c15-7-10-5-8-3-1-2-4-9(8)6-11(10)12-18-13(16)20-14(17)19-12/h1-6H,(H4,16,17,18,19,20).
What are the key properties of 3-(4,6-diamino-1,3,5-triazin-2-yl)naphthalene-2-carbonitrile?
3-(4,6-diamino-1,3,5-triazin-2-yl)naphthalene-2-carbonitrile has a molecular weight of 262.28 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-diamino-1,3,5-triazin-2-yl)naphthalene-2-carbonitrile is sourced from PubChem (CID 90962352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).