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

C12H21N7 — CID 778511

IUPAC[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-ethylcyanamide
SMILESCCN(C#N)c1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C12H21N7/c1-6-19(7-13)12-17-10(14-8(2)3)16-11(18-12)15-9(4)5/h8-9H,6H2,1-5H3,(H2,14,15,16,17,18)
InChIKeyPFJGLLWVHWRFKX-UHFFFAOYSA-N
MW263.35 g/mol
LogP1.82
Rot. Bonds6

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

[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-ethylcyanamide (PubChem CID 778511) has the molecular formula C12H21N7 and a molecular weight of 263.35 g/mol. Its IUPAC name is [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-ethylcyanamide.

Molecular Properties

Compound Name[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-ethylcyanamide
PubChem CID778511
Molecular FormulaC12H21N7
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC Name[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-ethylcyanamide
SMILESCCN(C#N)c1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C12H21N7/c1-6-19(7-13)12-17-10(14-8(2)3)16-11(18-12)15-9(4)5/h8-9H,6H2,1-5H3,(H2,14,15,16,17,18)
InChIKeyPFJGLLWVHWRFKX-UHFFFAOYSA-N
XLogP1.82
TPSA89.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
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'}

Analyze [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-ethylcyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyromazine
CID 47866
Terbuthylazine
CID 22206
Atrazine
CID 2256
Prometon
CID 4928
Propazine
CID 4937
Deethylatrazine
CID 22563
Atraton
CID 15359
Secbumeton
CID 33443
Cyprazine
CID 24738
Sebuthylazine
CID 23712
Trietazine
CID 15951
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-methyl-N4-(1-methylethyl)-
CID 18153

Frequently Asked Questions

What is the IUPAC name of [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-ethylcyanamide?
The IUPAC name of [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-ethylcyanamide (CID 778511) is [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-ethylcyanamide.
What is the SMILES notation for [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-ethylcyanamide?
The canonical SMILES for [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-ethylcyanamide is CCN(C#N)c1nc(NC(C)C)nc(NC(C)C)n1.
What is the InChIKey of [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-ethylcyanamide?
The InChIKey is PFJGLLWVHWRFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7/c1-6-19(7-13)12-17-10(14-8(2)3)16-11(18-12)15-9(4)5/h8-9H,6H2,1-5H3,(H2,14,15,16,17,18).
What are the key properties of [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-ethylcyanamide?
[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-ethylcyanamide has a molecular weight of 263.35 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-ethylcyanamide is sourced from PubChem (CID 778511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).