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

C12H21N7 — CID 651563

IUPAC[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-propylcyanamide
SMILESCCCN(C#N)c1nc(NCC)nc(NC(C)C)n1
InChIInChI=1S/C12H21N7/c1-5-7-19(8-13)12-17-10(14-6-2)16-11(18-12)15-9(3)4/h9H,5-7H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyKICCWINJKBTCLE-UHFFFAOYSA-N
MW263.35 g/mol
LogP1.82
Rot. Bonds7

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

[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-propylcyanamide (PubChem CID 651563) has the molecular formula C12H21N7 and a molecular weight of 263.35 g/mol. Its IUPAC name is [4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-propylcyanamide.

Molecular Properties

Compound Name[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-propylcyanamide
PubChem CID651563
Molecular FormulaC12H21N7
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC Name[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-propylcyanamide
SMILESCCCN(C#N)c1nc(NCC)nc(NC(C)C)n1
InChIInChI=1S/C12H21N7/c1-5-7-19(8-13)12-17-10(14-6-2)16-11(18-12)15-9(3)4/h9H,5-7H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyKICCWINJKBTCLE-UHFFFAOYSA-N
XLogP1.82
TPSA89.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 51.82
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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Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-propylcyanamide?
The IUPAC name of [4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-propylcyanamide (CID 651563) is [4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-propylcyanamide.
What is the SMILES notation for [4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-propylcyanamide?
The canonical SMILES for [4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-propylcyanamide is CCCN(C#N)c1nc(NCC)nc(NC(C)C)n1.
What is the InChIKey of [4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-propylcyanamide?
The InChIKey is KICCWINJKBTCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7/c1-5-7-19(8-13)12-17-10(14-6-2)16-11(18-12)15-9(3)4/h9H,5-7H2,1-4H3,(H2,14,15,16,17,18).
What are the key properties of [4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-propylcyanamide?
[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-propylcyanamide has a molecular weight of 263.35 g/mol, XLogP of 1.82, 7 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]-propylcyanamide is sourced from PubChem (CID 651563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).