4-chloro-6-imidazol-1-yl-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine

C11H11ClN6 — CID 114156803

IUPAC4-chloro-6-imidazol-1-yl-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine
SMILESC#CCC(C)Nc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C11H11ClN6/c1-3-4-8(2)14-10-15-9(12)16-11(17-10)18-6-5-13-7-18/h1,5-8H,4H2,2H3,(H,14,15,16,17)
InChIKeySRBZXXNHTSEIJR-UHFFFAOYSA-N
MW262.70 g/mol
LogP1.53
Rot. Bonds4

About 4-chloro-6-imidazol-1-yl-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine

4-chloro-6-imidazol-1-yl-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine (PubChem CID 114156803) has the molecular formula C11H11ClN6 and a molecular weight of 262.70 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-yl-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-yl-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine
PubChem CID114156803
Molecular FormulaC11H11ClN6
Molecular Weight262.70 g/mol
Exact Mass262.07
IUPAC Name4-chloro-6-imidazol-1-yl-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine
SMILESC#CCC(C)Nc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C11H11ClN6/c1-3-4-8(2)14-10-15-9(12)16-11(17-10)18-6-5-13-7-18/h1,5-8H,4H2,2H3,(H,14,15,16,17)
InChIKeySRBZXXNHTSEIJR-UHFFFAOYSA-N
XLogP1.53
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine
CID 64642088
4-chloro-6-imidazol-1-yl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 62869319
N-but-3-ynyl-4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 106194902
4-chloro-N-pent-4-yn-2-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 114156802
4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62864444
4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 64596820
4-chloro-6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62864098
4-chloro-6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazin-2-amine
CID 106214337
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 62864217
4-chloro-6-imidazol-1-yl-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
CID 62864454
6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80751147

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-imidazol-1-yl-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-imidazol-1-yl-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine (CID 114156803) is 4-chloro-6-imidazol-1-yl-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-imidazol-1-yl-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-imidazol-1-yl-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine is C#CCC(C)Nc1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 4-chloro-6-imidazol-1-yl-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine?
The InChIKey is SRBZXXNHTSEIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6/c1-3-4-8(2)14-10-15-9(12)16-11(17-10)18-6-5-13-7-18/h1,5-8H,4H2,2H3,(H,14,15,16,17).
What are the key properties of 4-chloro-6-imidazol-1-yl-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine?
4-chloro-6-imidazol-1-yl-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine has a molecular weight of 262.70 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-imidazol-1-yl-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 114156803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).