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

C10H17N7 — CID 778501

IUPAC[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide
SMILESCCNc1nc(NCC)nc(N(C#N)CC)n1
InChIInChI=1S/C10H17N7/c1-4-12-8-14-9(13-5-2)16-10(15-8)17(6-3)7-11/h4-6H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyUUTIZHIPGGMHDO-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.04
Rot. Bonds6

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

[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide (PubChem CID 778501) has the molecular formula C10H17N7 and a molecular weight of 235.29 g/mol. Its IUPAC name is [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide.

Molecular Properties

Compound Name[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide
PubChem CID778501
Molecular FormulaC10H17N7
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide
SMILESCCNc1nc(NCC)nc(N(C#N)CC)n1
InChIInChI=1S/C10H17N7/c1-4-12-8-14-9(13-5-2)16-10(15-8)17(6-3)7-11/h4-6H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyUUTIZHIPGGMHDO-UHFFFAOYSA-N
XLogP1.04
TPSA89.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
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

Simazine
CID 5216
Terbuthylazine
CID 22206
Propazine
CID 4937
Deisopropylatrazine
CID 13878
Simeton
CID 12654
Sebuthylazine
CID 23712
Trietazine
CID 15951
N-(4,6-Bis((1-methylethyl)amino)-1,3,5-triazin-2-yl)-N-methylcyanamide
CID 49968
Heptazine
CID 15950
4-N,6-N-ditert-butyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 744450
2,4-Diamino-6-diethylamino-1,3,5-triazine
CID 326489
N-Butyl-1,3,5-triazine-2,4,6-triamine
CID 197831

Frequently Asked Questions

What is the IUPAC name of [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide?
The IUPAC name of [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide (CID 778501) is [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide.
What is the SMILES notation for [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide?
The canonical SMILES for [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide is CCNc1nc(NCC)nc(N(C#N)CC)n1.
What is the InChIKey of [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide?
The InChIKey is UUTIZHIPGGMHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7/c1-4-12-8-14-9(13-5-2)16-10(15-8)17(6-3)7-11/h4-6H2,1-3H3,(H2,12,13,14,15,16).
What are the key properties of [4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide?
[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-ethylcyanamide has a molecular weight of 235.29 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 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]-ethylcyanamide is sourced from PubChem (CID 778501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).