(2R)-4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6,6-dimethylmorpholin-2-amine

C10H16ClN5O — CID 174321333

IUPAC(2R)-4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6,6-dimethylmorpholin-2-amine
SMILESCc1nc(N2C[C@H](N)OC(C)(C)C2)nnc1Cl
InChIInChI=1S/C10H16ClN5O/c1-6-8(11)14-15-9(13-6)16-4-7(12)17-10(2,3)5-16/h7H,4-5,12H2,1-3H3/t7-/m1/s1
InChIKeyDKJNRCUUDXCPPW-SSDOTTSWSA-N
MW257.72 g/mol
LogP0.73
Rot. Bonds1

About (2R)-4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6,6-dimethylmorpholin-2-amine

(2R)-4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6,6-dimethylmorpholin-2-amine (PubChem CID 174321333) has the molecular formula C10H16ClN5O and a molecular weight of 257.72 g/mol. Its IUPAC name is (2R)-4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6,6-dimethylmorpholin-2-amine.

Molecular Properties

Compound Name(2R)-4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6,6-dimethylmorpholin-2-amine
PubChem CID174321333
Molecular FormulaC10H16ClN5O
Molecular Weight257.72 g/mol
Exact Mass257.10
IUPAC Name(2R)-4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6,6-dimethylmorpholin-2-amine
SMILESCc1nc(N2C[C@H](N)OC(C)(C)C2)nnc1Cl
InChIInChI=1S/C10H16ClN5O/c1-6-8(11)14-15-9(13-6)16-4-7(12)17-10(2,3)5-16/h7H,4-5,12H2,1-3H3/t7-/m1/s1
InChIKeyDKJNRCUUDXCPPW-SSDOTTSWSA-N
XLogP0.73
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6,6-dimethylmorpholin-2-amine?
The IUPAC name of (2R)-4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6,6-dimethylmorpholin-2-amine (CID 174321333) is (2R)-4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6,6-dimethylmorpholin-2-amine.
What is the SMILES notation for (2R)-4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6,6-dimethylmorpholin-2-amine?
The canonical SMILES for (2R)-4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6,6-dimethylmorpholin-2-amine is Cc1nc(N2C[C@H](N)OC(C)(C)C2)nnc1Cl.
What is the InChIKey of (2R)-4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6,6-dimethylmorpholin-2-amine?
The InChIKey is DKJNRCUUDXCPPW-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16ClN5O/c1-6-8(11)14-15-9(13-6)16-4-7(12)17-10(2,3)5-16/h7H,4-5,12H2,1-3H3/t7-/m1/s1.
What are the key properties of (2R)-4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6,6-dimethylmorpholin-2-amine?
(2R)-4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6,6-dimethylmorpholin-2-amine has a molecular weight of 257.72 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-6,6-dimethylmorpholin-2-amine is sourced from PubChem (CID 174321333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).