[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]cyanamide

C8H13N7 — CID 12539665

IUPAC[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]cyanamide
SMILESCCNc1nc(NC#N)nc(NCC)n1
InChIInChI=1S/C8H13N7/c1-3-10-6-13-7(11-4-2)15-8(14-6)12-5-9/h3-4H2,1-2H3,(H3,10,11,12,13,14,15)
InChIKeyKWSNFJOAMVWOFM-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.63
Rot. Bonds5

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

[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]cyanamide (PubChem CID 12539665) has the molecular formula C8H13N7 and a molecular weight of 207.24 g/mol. Its IUPAC name is [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]cyanamide.

Molecular Properties

Compound Name[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]cyanamide
PubChem CID12539665
Molecular FormulaC8H13N7
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]cyanamide
SMILESCCNc1nc(NC#N)nc(NCC)n1
InChIInChI=1S/C8H13N7/c1-3-10-6-13-7(11-4-2)15-8(14-6)12-5-9/h3-4H2,1-2H3,(H3,10,11,12,13,14,15)
InChIKeyKWSNFJOAMVWOFM-UHFFFAOYSA-N
XLogP0.63
TPSA98.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[4-(cyanoamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 655506
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
3-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]propanenitrile
CID 14956705
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
2-N,4-N-diethyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 12871
[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide
CID 910908
2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 19357503
[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-propan-2-ylcyanamide
CID 2982680
(4,5,6-triaminopyrimidin-2-yl)cyanamide
CID 59064757
[4,6-bis(cyanoamino)-1,3,5-triazin-2-yl]iminomethylideneazanide
CID 102353616

Frequently Asked Questions

What is the IUPAC name of [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]cyanamide?
The IUPAC name of [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]cyanamide (CID 12539665) is [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]cyanamide.
What is the SMILES notation for [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]cyanamide?
The canonical SMILES for [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]cyanamide is CCNc1nc(NC#N)nc(NCC)n1.
What is the InChIKey of [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]cyanamide?
The InChIKey is KWSNFJOAMVWOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N7/c1-3-10-6-13-7(11-4-2)15-8(14-6)12-5-9/h3-4H2,1-2H3,(H3,10,11,12,13,14,15).
What are the key properties of [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]cyanamide?
[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]cyanamide has a molecular weight of 207.24 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]cyanamide is sourced from PubChem (CID 12539665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).