(5-methyl-1,2,4-triazin-6-yl)methanamine

C5H8N4 — CID 83678732

IUPAC(5-methyl-1,2,4-triazin-6-yl)methanamine
SMILESCc1ncnnc1CN
InChIInChI=1S/C5H8N4/c1-4-5(2-6)9-8-3-7-4/h3H,2,6H2,1H3
InChIKeyDWLDVOGVMYFOMX-UHFFFAOYSA-N
MW124.15 g/mol
LogP-0.36
Rot. Bonds1

About (5-methyl-1,2,4-triazin-6-yl)methanamine

(5-methyl-1,2,4-triazin-6-yl)methanamine (PubChem CID 83678732) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is (5-methyl-1,2,4-triazin-6-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-1,2,4-triazin-6-yl)methanamine
PubChem CID83678732
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name(5-methyl-1,2,4-triazin-6-yl)methanamine
SMILESCc1ncnnc1CN
InChIInChI=1S/C5H8N4/c1-4-5(2-6)9-8-3-7-4/h3H,2,6H2,1H3
InChIKeyDWLDVOGVMYFOMX-UHFFFAOYSA-N
XLogP-0.36
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2,4-triazin-6-yl)methanamine?
The IUPAC name of (5-methyl-1,2,4-triazin-6-yl)methanamine (CID 83678732) is (5-methyl-1,2,4-triazin-6-yl)methanamine.
What is the SMILES notation for (5-methyl-1,2,4-triazin-6-yl)methanamine?
The canonical SMILES for (5-methyl-1,2,4-triazin-6-yl)methanamine is Cc1ncnnc1CN.
What is the InChIKey of (5-methyl-1,2,4-triazin-6-yl)methanamine?
The InChIKey is DWLDVOGVMYFOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-4-5(2-6)9-8-3-7-4/h3H,2,6H2,1H3.
What are the key properties of (5-methyl-1,2,4-triazin-6-yl)methanamine?
(5-methyl-1,2,4-triazin-6-yl)methanamine has a molecular weight of 124.15 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2,4-triazin-6-yl)methanamine is sourced from PubChem (CID 83678732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).