N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine

C15H20N6 — CID 86798079

IUPACN-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCc1nnc(N2CCC(CNc3ccccn3)C2)nc1C
InChIInChI=1S/C15H20N6/c1-11-12(2)19-20-15(18-11)21-8-6-13(10-21)9-17-14-5-3-4-7-16-14/h3-5,7,13H,6,8-10H2,1-2H3,(H,16,17)
InChIKeySRHHABWIUHDFPK-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.82
Rot. Bonds4

About N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine

N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine (PubChem CID 86798079) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine
PubChem CID86798079
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC NameN-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCc1nnc(N2CCC(CNc3ccccn3)C2)nc1C
InChIInChI=1S/C15H20N6/c1-11-12(2)19-20-15(18-11)21-8-6-13(10-21)9-17-14-5-3-4-7-16-14/h3-5,7,13H,6,8-10H2,1-2H3,(H,16,17)
InChIKeySRHHABWIUHDFPK-UHFFFAOYSA-N
XLogP1.82
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine (CID 86798079) is N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine is Cc1nnc(N2CCC(CNc3ccccn3)C2)nc1C.
What is the InChIKey of N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
The InChIKey is SRHHABWIUHDFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-11-12(2)19-20-15(18-11)21-8-6-13(10-21)9-17-14-5-3-4-7-16-14/h3-5,7,13H,6,8-10H2,1-2H3,(H,16,17).
What are the key properties of N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine?
N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine has a molecular weight of 284.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 86798079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).