3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine

C9H11ClN6 — CID 82239276

IUPAC3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
SMILESCC(Cn1ccnc1)Nc1cnnc(Cl)n1
InChIInChI=1S/C9H11ClN6/c1-7(5-16-3-2-11-6-16)13-8-4-12-15-9(10)14-8/h2-4,6-7H,5H2,1H3,(H,13,14,15)
InChIKeyISTQCFJIJCPDAN-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.22
Rot. Bonds4

About 3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine

3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine (PubChem CID 82239276) has the molecular formula C9H11ClN6 and a molecular weight of 238.68 g/mol. Its IUPAC name is 3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
PubChem CID82239276
Molecular FormulaC9H11ClN6
Molecular Weight238.68 g/mol
Exact Mass238.07
IUPAC Name3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
SMILESCC(Cn1ccnc1)Nc1cnnc(Cl)n1
InChIInChI=1S/C9H11ClN6/c1-7(5-16-3-2-11-6-16)13-8-4-12-15-9(10)14-8/h2-4,6-7H,5H2,1H3,(H,13,14,15)
InChIKeyISTQCFJIJCPDAN-UHFFFAOYSA-N
XLogP1.22
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine (CID 82239276) is 3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine is CC(Cn1ccnc1)Nc1cnnc(Cl)n1.
What is the InChIKey of 3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine?
The InChIKey is ISTQCFJIJCPDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN6/c1-7(5-16-3-2-11-6-16)13-8-4-12-15-9(10)14-8/h2-4,6-7H,5H2,1H3,(H,13,14,15).
What are the key properties of 3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine?
3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine has a molecular weight of 238.68 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 82239276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).