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

C11H16N8O — CID 106598566

IUPACN-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(Oc2ncn(C)n2)nc(N2CCCC2)n1
InChIInChI=1S/C11H16N8O/c1-12-8-14-9(19-5-3-4-6-19)16-11(15-8)20-10-13-7-18(2)17-10/h7H,3-6H2,1-2H3,(H,12,14,15,16)
InChIKeyBAWMWXHFBSXOBP-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.43
Rot. Bonds4

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

N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 106598566) has the molecular formula C11H16N8O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID106598566
Molecular FormulaC11H16N8O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC NameN-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(Oc2ncn(C)n2)nc(N2CCCC2)n1
InChIInChI=1S/C11H16N8O/c1-12-8-14-9(19-5-3-4-6-19)16-11(15-8)20-10-13-7-18(2)17-10/h7H,3-6H2,1-2H3,(H,12,14,15,16)
InChIKeyBAWMWXHFBSXOBP-UHFFFAOYSA-N
XLogP0.43
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-(2-bromophenoxy)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80845958
N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80865018
3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80865821
4-(azepan-1-yl)-6-(6-ethoxypyridazin-3-yl)oxy-N-methyl-1,3,5-triazin-2-amine
CID 29131756
4-hexoxy-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80842498
4-but-3-ynoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106795532
3-[[4-(azepan-1-yl)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
CID 29139852
N-methyl-4-(3-methylbutoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80858158
4-methoxy-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80767737
4-(furan-2-ylmethoxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80844803
N-methyl-4-(4-methylpentan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80844224
4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 102741381

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 106598566) is N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CNc1nc(Oc2ncn(C)n2)nc(N2CCCC2)n1.
What is the InChIKey of N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is BAWMWXHFBSXOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N8O/c1-12-8-14-9(19-5-3-4-6-19)16-11(15-8)20-10-13-7-18(2)17-10/h7H,3-6H2,1-2H3,(H,12,14,15,16).
What are the key properties of N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 276.30 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 106598566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).