(2S)-2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide

C10H19N5O — CID 103832073

IUPAC(2S)-2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C10H19N5O/c1-3-4-5-8(11)10(16)15(2)6-9-12-7-13-14-9/h7-8H,3-6,11H2,1-2H3,(H,12,13,14)/t8-/m0/s1
InChIKeyNYOTZTLLBVHBMN-QMMMGPOBSA-N
MW225.30 g/mol
LogP0.28
Rot. Bonds6

About (2S)-2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide

(2S)-2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide (PubChem CID 103832073) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide
PubChem CID103832073
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name(2S)-2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide
SMILESCCCC[C@H](N)C(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C10H19N5O/c1-3-4-5-8(11)10(16)15(2)6-9-12-7-13-14-9/h7-8H,3-6,11H2,1-2H3,(H,12,13,14)/t8-/m0/s1
InChIKeyNYOTZTLLBVHBMN-QMMMGPOBSA-N
XLogP0.28
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64511307
4-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 80545154
(2S)-2-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]hexanoic acid
CID 107146183
4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64519801
2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64519414
4-amino-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 81080305
(2S)-2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexanamide
CID 113304780
(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butane-1-sulfonamide
CID 64512890
2-(aminomethyl)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64511690
(2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide
CID 93368050
2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide
CID 54869039

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide (CID 103832073) is (2S)-2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide is CCCC[C@H](N)C(=O)N(C)Cc1ncn[nH]1.
What is the InChIKey of (2S)-2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide?
The InChIKey is NYOTZTLLBVHBMN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19N5O/c1-3-4-5-8(11)10(16)15(2)6-9-12-7-13-14-9/h7-8H,3-6,11H2,1-2H3,(H,12,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide?
(2S)-2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide has a molecular weight of 225.30 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide is sourced from PubChem (CID 103832073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).