N-methyl-3-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine

C10H17N5 — CID 116823987

IUPACN-methyl-3-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine
SMILESCNc1cnnc(C2CCCN(C)C2)n1
InChIInChI=1S/C10H17N5/c1-11-9-6-12-14-10(13-9)8-4-3-5-15(2)7-8/h6,8H,3-5,7H2,1-2H3,(H,11,13,14)
InChIKeyIXDALAWXNBARCL-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.72
Rot. Bonds2

About N-methyl-3-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine

N-methyl-3-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine (PubChem CID 116823987) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is N-methyl-3-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine
PubChem CID116823987
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC NameN-methyl-3-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine
SMILESCNc1cnnc(C2CCCN(C)C2)n1
InChIInChI=1S/C10H17N5/c1-11-9-6-12-14-10(13-9)8-4-3-5-15(2)7-8/h6,8H,3-5,7H2,1-2H3,(H,11,13,14)
InChIKeyIXDALAWXNBARCL-UHFFFAOYSA-N
XLogP0.72
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine?
The IUPAC name of N-methyl-3-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine (CID 116823987) is N-methyl-3-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine.
What is the SMILES notation for N-methyl-3-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine?
The canonical SMILES for N-methyl-3-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine is CNc1cnnc(C2CCCN(C)C2)n1.
What is the InChIKey of N-methyl-3-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine?
The InChIKey is IXDALAWXNBARCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-11-9-6-12-14-10(13-9)8-4-3-5-15(2)7-8/h6,8H,3-5,7H2,1-2H3,(H,11,13,14).
What are the key properties of N-methyl-3-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine?
N-methyl-3-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine has a molecular weight of 207.28 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).