N-methyl-6-(1H-pyrrol-2-yl)-1,2,4-triazin-5-amine

C8H9N5 — CID 116823177

IUPACN-methyl-6-(1H-pyrrol-2-yl)-1,2,4-triazin-5-amine
SMILESCNc1ncnnc1-c1ccc[nH]1
InChIInChI=1S/C8H9N5/c1-9-8-7(13-12-5-11-8)6-3-2-4-10-6/h2-5,10H,1H3,(H,9,11,12)
InChIKeyAYVGUYKHKROFBJ-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.91
Rot. Bonds2

About N-methyl-6-(1H-pyrrol-2-yl)-1,2,4-triazin-5-amine

N-methyl-6-(1H-pyrrol-2-yl)-1,2,4-triazin-5-amine (PubChem CID 116823177) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is N-methyl-6-(1H-pyrrol-2-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-methyl-6-(1H-pyrrol-2-yl)-1,2,4-triazin-5-amine
PubChem CID116823177
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC NameN-methyl-6-(1H-pyrrol-2-yl)-1,2,4-triazin-5-amine
SMILESCNc1ncnnc1-c1ccc[nH]1
InChIInChI=1S/C8H9N5/c1-9-8-7(13-12-5-11-8)6-3-2-4-10-6/h2-5,10H,1H3,(H,9,11,12)
InChIKeyAYVGUYKHKROFBJ-UHFFFAOYSA-N
XLogP0.91
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1H-pyrrol-2-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-methyl-6-(1H-pyrrol-2-yl)-1,2,4-triazin-5-amine (CID 116823177) is N-methyl-6-(1H-pyrrol-2-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-methyl-6-(1H-pyrrol-2-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-methyl-6-(1H-pyrrol-2-yl)-1,2,4-triazin-5-amine is CNc1ncnnc1-c1ccc[nH]1.
What is the InChIKey of N-methyl-6-(1H-pyrrol-2-yl)-1,2,4-triazin-5-amine?
The InChIKey is AYVGUYKHKROFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-9-8-7(13-12-5-11-8)6-3-2-4-10-6/h2-5,10H,1H3,(H,9,11,12).
What are the key properties of N-methyl-6-(1H-pyrrol-2-yl)-1,2,4-triazin-5-amine?
N-methyl-6-(1H-pyrrol-2-yl)-1,2,4-triazin-5-amine has a molecular weight of 175.19 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1H-pyrrol-2-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).