(3S)-3-(aminomethyl)-5-methyl-N-(1,2,4-triazin-3-yl)hexanamide

C11H19N5O — CID 104919519

IUPAC(3S)-3-(aminomethyl)-5-methyl-N-(1,2,4-triazin-3-yl)hexanamide
SMILESCC(C)C[C@H](CN)CC(=O)Nc1nccnn1
InChIInChI=1S/C11H19N5O/c1-8(2)5-9(7-12)6-10(17)15-11-13-3-4-14-16-11/h3-4,8-9H,5-7,12H2,1-2H3,(H,13,15,16,17)/t9-/m0/s1
InChIKeyAEZMADHRLRVCOK-VIFPVBQESA-N
MW237.31 g/mol
LogP0.82
Rot. Bonds6

About (3S)-3-(aminomethyl)-5-methyl-N-(1,2,4-triazin-3-yl)hexanamide

(3S)-3-(aminomethyl)-5-methyl-N-(1,2,4-triazin-3-yl)hexanamide (PubChem CID 104919519) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-5-methyl-N-(1,2,4-triazin-3-yl)hexanamide.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-5-methyl-N-(1,2,4-triazin-3-yl)hexanamide
PubChem CID104919519
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name(3S)-3-(aminomethyl)-5-methyl-N-(1,2,4-triazin-3-yl)hexanamide
SMILESCC(C)C[C@H](CN)CC(=O)Nc1nccnn1
InChIInChI=1S/C11H19N5O/c1-8(2)5-9(7-12)6-10(17)15-11-13-3-4-14-16-11/h3-4,8-9H,5-7,12H2,1-2H3,(H,13,15,16,17)/t9-/m0/s1
InChIKeyAEZMADHRLRVCOK-VIFPVBQESA-N
XLogP0.82
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-5-methyl-N-(1,2,4-triazin-3-yl)hexanamide?
The IUPAC name of (3S)-3-(aminomethyl)-5-methyl-N-(1,2,4-triazin-3-yl)hexanamide (CID 104919519) is (3S)-3-(aminomethyl)-5-methyl-N-(1,2,4-triazin-3-yl)hexanamide.
What is the SMILES notation for (3S)-3-(aminomethyl)-5-methyl-N-(1,2,4-triazin-3-yl)hexanamide?
The canonical SMILES for (3S)-3-(aminomethyl)-5-methyl-N-(1,2,4-triazin-3-yl)hexanamide is CC(C)C[C@H](CN)CC(=O)Nc1nccnn1.
What is the InChIKey of (3S)-3-(aminomethyl)-5-methyl-N-(1,2,4-triazin-3-yl)hexanamide?
The InChIKey is AEZMADHRLRVCOK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N5O/c1-8(2)5-9(7-12)6-10(17)15-11-13-3-4-14-16-11/h3-4,8-9H,5-7,12H2,1-2H3,(H,13,15,16,17)/t9-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-5-methyl-N-(1,2,4-triazin-3-yl)hexanamide?
(3S)-3-(aminomethyl)-5-methyl-N-(1,2,4-triazin-3-yl)hexanamide has a molecular weight of 237.31 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-5-methyl-N-(1,2,4-triazin-3-yl)hexanamide is sourced from PubChem (CID 104919519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).