(2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylbutanamide

C10H17N5O — CID 104919452

IUPAC(2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylbutanamide
SMILESCc1nnc(NC(=O)[C@@H](N)C(C)C)nc1C
InChIInChI=1S/C10H17N5O/c1-5(2)8(11)9(16)13-10-12-6(3)7(4)14-15-10/h5,8H,11H2,1-4H3,(H,12,13,15,16)/t8-/m0/s1
InChIKeyFAURZRBDVRKHEL-QMMMGPOBSA-N
MW223.28 g/mol
LogP0.41
Rot. Bonds3

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

(2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylbutanamide (PubChem CID 104919452) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is (2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylbutanamide
PubChem CID104919452
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name(2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylbutanamide
SMILESCc1nnc(NC(=O)[C@@H](N)C(C)C)nc1C
InChIInChI=1S/C10H17N5O/c1-5(2)8(11)9(16)13-10-12-6(3)7(4)14-15-10/h5,8H,11H2,1-4H3,(H,12,13,15,16)/t8-/m0/s1
InChIKeyFAURZRBDVRKHEL-QMMMGPOBSA-N
XLogP0.41
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylbutanamide (CID 104919452) is (2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylbutanamide is Cc1nnc(NC(=O)[C@@H](N)C(C)C)nc1C.
What is the InChIKey of (2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylbutanamide?
The InChIKey is FAURZRBDVRKHEL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N5O/c1-5(2)8(11)9(16)13-10-12-6(3)7(4)14-15-10/h5,8H,11H2,1-4H3,(H,12,13,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylbutanamide?
(2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylbutanamide has a molecular weight of 223.28 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylbutanamide is sourced from PubChem (CID 104919452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).