3-chloro-N-methyl-N-propyl-1,2,4-triazin-5-amine

C7H11ClN4 — CID 114998180

IUPAC3-chloro-N-methyl-N-propyl-1,2,4-triazin-5-amine
SMILESCCCN(C)c1cnnc(Cl)n1
InChIInChI=1S/C7H11ClN4/c1-3-4-12(2)6-5-9-11-7(8)10-6/h5H,3-4H2,1-2H3
InChIKeyJDQOOSQXMNHCCL-UHFFFAOYSA-N
MW186.65 g/mol
LogP1.37
Rot. Bonds3

About 3-chloro-N-methyl-N-propyl-1,2,4-triazin-5-amine

3-chloro-N-methyl-N-propyl-1,2,4-triazin-5-amine (PubChem CID 114998180) has the molecular formula C7H11ClN4 and a molecular weight of 186.65 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-propyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-propyl-1,2,4-triazin-5-amine
PubChem CID114998180
Molecular FormulaC7H11ClN4
Molecular Weight186.65 g/mol
Exact Mass186.07
IUPAC Name3-chloro-N-methyl-N-propyl-1,2,4-triazin-5-amine
SMILESCCCN(C)c1cnnc(Cl)n1
InChIInChI=1S/C7H11ClN4/c1-3-4-12(2)6-5-9-11-7(8)10-6/h5H,3-4H2,1-2H3
InChIKeyJDQOOSQXMNHCCL-UHFFFAOYSA-N
XLogP1.37
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.65
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-propyl-1,2,4-triazin-5-amine?
The IUPAC name of 3-chloro-N-methyl-N-propyl-1,2,4-triazin-5-amine (CID 114998180) is 3-chloro-N-methyl-N-propyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-propyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3-chloro-N-methyl-N-propyl-1,2,4-triazin-5-amine is CCCN(C)c1cnnc(Cl)n1.
What is the InChIKey of 3-chloro-N-methyl-N-propyl-1,2,4-triazin-5-amine?
The InChIKey is JDQOOSQXMNHCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4/c1-3-4-12(2)6-5-9-11-7(8)10-6/h5H,3-4H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-N-propyl-1,2,4-triazin-5-amine?
3-chloro-N-methyl-N-propyl-1,2,4-triazin-5-amine has a molecular weight of 186.65 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-propyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 114998180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).