(2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylpentanamide

C11H19N5O — CID 104919461

IUPAC(2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylpentanamide
SMILESCc1nnc(NC(=O)[C@H](N)CC(C)C)nc1C
InChIInChI=1S/C11H19N5O/c1-6(2)5-9(12)10(17)14-11-13-7(3)8(4)15-16-11/h6,9H,5,12H2,1-4H3,(H,13,14,16,17)/t9-/m1/s1
InChIKeyUDPQAJPNDXMUEO-SECBINFHSA-N
MW237.31 g/mol
LogP0.80
Rot. Bonds4

About (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylpentanamide

(2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylpentanamide (PubChem CID 104919461) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylpentanamide
PubChem CID104919461
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name(2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylpentanamide
SMILESCc1nnc(NC(=O)[C@H](N)CC(C)C)nc1C
InChIInChI=1S/C11H19N5O/c1-6(2)5-9(12)10(17)14-11-13-7(3)8(4)15-16-11/h6,9H,5,12H2,1-4H3,(H,13,14,16,17)/t9-/m1/s1
InChIKeyUDPQAJPNDXMUEO-SECBINFHSA-N
XLogP0.80
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylpentanamide (CID 104919461) is (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylpentanamide is Cc1nnc(NC(=O)[C@H](N)CC(C)C)nc1C.
What is the InChIKey of (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylpentanamide?
The InChIKey is UDPQAJPNDXMUEO-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N5O/c1-6(2)5-9(12)10(17)14-11-13-7(3)8(4)15-16-11/h6,9H,5,12H2,1-4H3,(H,13,14,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylpentanamide?
(2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylpentanamide has a molecular weight of 237.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylpentanamide is sourced from PubChem (CID 104919461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).