[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide

C10H17N7 — CID 910908

IUPAC[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide
SMILESCCNc1nc(NC(C)C)nc(N(C)C#N)n1
InChIInChI=1S/C10H17N7/c1-5-12-8-14-9(13-7(2)3)16-10(15-8)17(4)6-11/h7H,5H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyHHOOSFMVQBDYJP-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.04
Rot. Bonds5

About [4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide

[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide (PubChem CID 910908) has the molecular formula C10H17N7 and a molecular weight of 235.29 g/mol. Its IUPAC name is [4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide.

Molecular Properties

Compound Name[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide
PubChem CID910908
Molecular FormulaC10H17N7
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide
SMILESCCNc1nc(NC(C)C)nc(N(C)C#N)n1
InChIInChI=1S/C10H17N7/c1-5-12-8-14-9(13-7(2)3)16-10(15-8)17(4)6-11/h7H,5H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyHHOOSFMVQBDYJP-UHFFFAOYSA-N
XLogP1.04
TPSA89.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
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

[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-propan-2-ylcyanamide
CID 2982680
2-[cyano-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide
CID 658316
2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780226
3-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-one
CID 166860057
6-(2-aminoethoxy)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 14341539
[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]cyanamide
CID 12539665
3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropanenitrile
CID 80811299
2-N,2-N,6-N-triethyl-4-N-(3-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 80785774
N-[4-(propan-2-ylamino)-6-(propylamino)-1,3,5-triazin-2-yl]hydroxylamine
CID 90175544
2-[[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]butanenitrile
CID 117059331
4-(ethylamino)-6-methoxy-2-(propan-2-ylamino)pyrimidine-5-carbonitrile
CID 20510210
6-(2,2-dimethylhydrazinyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 83027111

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide?
The IUPAC name of [4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide (CID 910908) is [4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide.
What is the SMILES notation for [4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide?
The canonical SMILES for [4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide is CCNc1nc(NC(C)C)nc(N(C)C#N)n1.
What is the InChIKey of [4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide?
The InChIKey is HHOOSFMVQBDYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7/c1-5-12-8-14-9(13-7(2)3)16-10(15-8)17(4)6-11/h7H,5H2,1-4H3,(H2,12,13,14,15,16).
What are the key properties of [4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide?
[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide has a molecular weight of 235.29 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-methylcyanamide is sourced from PubChem (CID 910908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).