(3S)-3-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylhexanamide

C13H23N5O — CID 104919469

IUPAC(3S)-3-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylhexanamide
SMILESCc1nnc(NC(=O)C[C@@H](CN)CC(C)C)nc1C
InChIInChI=1S/C13H23N5O/c1-8(2)5-11(7-14)6-12(19)16-13-15-9(3)10(4)17-18-13/h8,11H,5-7,14H2,1-4H3,(H,15,16,18,19)/t11-/m0/s1
InChIKeyKNZMLIVMZXQMCA-NSHDSACASA-N
MW265.36 g/mol
LogP1.44
Rot. Bonds6

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

(3S)-3-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylhexanamide (PubChem CID 104919469) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylhexanamide.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylhexanamide
PubChem CID104919469
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name(3S)-3-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylhexanamide
SMILESCc1nnc(NC(=O)C[C@@H](CN)CC(C)C)nc1C
InChIInChI=1S/C13H23N5O/c1-8(2)5-11(7-14)6-12(19)16-13-15-9(3)10(4)17-18-13/h8,11H,5-7,14H2,1-4H3,(H,15,16,18,19)/t11-/m0/s1
InChIKeyKNZMLIVMZXQMCA-NSHDSACASA-N
XLogP1.44
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylhexanamide?
The IUPAC name of (3S)-3-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylhexanamide (CID 104919469) is (3S)-3-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylhexanamide.
What is the SMILES notation for (3S)-3-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylhexanamide?
The canonical SMILES for (3S)-3-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylhexanamide is Cc1nnc(NC(=O)C[C@@H](CN)CC(C)C)nc1C.
What is the InChIKey of (3S)-3-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylhexanamide?
The InChIKey is KNZMLIVMZXQMCA-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N5O/c1-8(2)5-11(7-14)6-12(19)16-13-15-9(3)10(4)17-18-13/h8,11H,5-7,14H2,1-4H3,(H,15,16,18,19)/t11-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylhexanamide?
(3S)-3-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylhexanamide has a molecular weight of 265.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylhexanamide is sourced from PubChem (CID 104919469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).