[4,6-bis(cyanoamino)-1,3,5-triazin-2-yl]iminomethylideneazanide

C6H2N9- — CID 102353616

IUPAC[4,6-bis(cyanoamino)-1,3,5-triazin-2-yl]iminomethylideneazanide
SMILESN#CNc1nc(N=C=[N-])nc(NC#N)n1
InChIInChI=1S/C6H2N9/c7-1-10-4-13-5(11-2-8)15-6(14-4)12-3-9/h(H2,10,11,13,14,15)/q-1
InChIKeyUQRRSFASCKTOFY-UHFFFAOYSA-N
MW200.14 g/mol
LogP0.03
Rot. Bonds3

About [4,6-bis(cyanoamino)-1,3,5-triazin-2-yl]iminomethylideneazanide

[4,6-bis(cyanoamino)-1,3,5-triazin-2-yl]iminomethylideneazanide (PubChem CID 102353616) has the molecular formula C6H2N9- and a molecular weight of 200.14 g/mol. Its IUPAC name is [4,6-bis(cyanoamino)-1,3,5-triazin-2-yl]iminomethylideneazanide.

Molecular Properties

Compound Name[4,6-bis(cyanoamino)-1,3,5-triazin-2-yl]iminomethylideneazanide
PubChem CID102353616
Molecular FormulaC6H2N9-
Molecular Weight200.14 g/mol
Exact Mass200.04
IUPAC Name[4,6-bis(cyanoamino)-1,3,5-triazin-2-yl]iminomethylideneazanide
SMILESN#CNc1nc(N=C=[N-])nc(NC#N)n1
InChIInChI=1S/C6H2N9/c7-1-10-4-13-5(11-2-8)15-6(14-4)12-3-9/h(H2,10,11,13,14,15)/q-1
InChIKeyUQRRSFASCKTOFY-UHFFFAOYSA-N
XLogP0.03
TPSA144.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.14
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[4-(cyanoamino)-6-(iminomethylideneamino)-1,3,5-triazin-2-yl]cyanamide
CID 102353617
[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]cyanamide
CID 12539665
(4,5,6-triaminopyrimidin-2-yl)cyanamide
CID 59064757
[4-methyl-6-(2-methylpropoxy)pyrimidin-2-yl]cyanamide
CID 19841607
5,6,7,8-tetrahydroquinazolin-2-ylcyanamide
CID 56921682
hydron;2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine;trihydrate
CID 174669762
ethyl 2-[[4-(cyanoamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 655506
[4-[4-(cyanoamino)phenyl]phenyl]cyanamide
CID 12974293
[5-(4-methylphenyl)pyrimidin-2-yl]cyanamide
CID 116975457
(4-methyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)cyanamide
CID 53215329
2-amino-4-[[4-(cyanoamino)-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 57111952
2-N,4-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 17804

Frequently Asked Questions

What is the IUPAC name of [4,6-bis(cyanoamino)-1,3,5-triazin-2-yl]iminomethylideneazanide?
The IUPAC name of [4,6-bis(cyanoamino)-1,3,5-triazin-2-yl]iminomethylideneazanide (CID 102353616) is [4,6-bis(cyanoamino)-1,3,5-triazin-2-yl]iminomethylideneazanide.
What is the SMILES notation for [4,6-bis(cyanoamino)-1,3,5-triazin-2-yl]iminomethylideneazanide?
The canonical SMILES for [4,6-bis(cyanoamino)-1,3,5-triazin-2-yl]iminomethylideneazanide is N#CNc1nc(N=C=[N-])nc(NC#N)n1.
What is the InChIKey of [4,6-bis(cyanoamino)-1,3,5-triazin-2-yl]iminomethylideneazanide?
The InChIKey is UQRRSFASCKTOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2N9/c7-1-10-4-13-5(11-2-8)15-6(14-4)12-3-9/h(H2,10,11,13,14,15)/q-1.
What are the key properties of [4,6-bis(cyanoamino)-1,3,5-triazin-2-yl]iminomethylideneazanide?
[4,6-bis(cyanoamino)-1,3,5-triazin-2-yl]iminomethylideneazanide has a molecular weight of 200.14 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(cyanoamino)-1,3,5-triazin-2-yl]iminomethylideneazanide is sourced from PubChem (CID 102353616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).