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

C8H13N5O — CID 104919459

IUPAC(2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide
SMILESCc1nnc(NC(=O)[C@@H](C)N)nc1C
InChIInChI=1S/C8H13N5O/c1-4(9)7(14)11-8-10-5(2)6(3)12-13-8/h4H,9H2,1-3H3,(H,10,11,13,14)/t4-/m1/s1
InChIKeyVQNZGPBEAGXFCY-SCSAIBSYSA-N
MW195.23 g/mol
LogP-0.23
Rot. Bonds2

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

(2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide (PubChem CID 104919459) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide
PubChem CID104919459
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name(2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide
SMILESCc1nnc(NC(=O)[C@@H](C)N)nc1C
InChIInChI=1S/C8H13N5O/c1-4(9)7(14)11-8-10-5(2)6(3)12-13-8/h4H,9H2,1-3H3,(H,10,11,13,14)/t4-/m1/s1
InChIKeyVQNZGPBEAGXFCY-SCSAIBSYSA-N
XLogP-0.23
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.23
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)propanamide?
The IUPAC name of (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide (CID 104919459) is (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide is Cc1nnc(NC(=O)[C@@H](C)N)nc1C.
What is the InChIKey of (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide?
The InChIKey is VQNZGPBEAGXFCY-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-4(9)7(14)11-8-10-5(2)6(3)12-13-8/h4H,9H2,1-3H3,(H,10,11,13,14)/t4-/m1/s1.
What are the key properties of (2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide?
(2R)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)propanamide has a molecular weight of 195.23 g/mol, XLogP of -0.23, 2 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)propanamide is sourced from PubChem (CID 104919459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).