(2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide

C7H11N5O — CID 104919513

IUPAC(2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide
SMILESCC[C@@H](N)C(=O)Nc1nccnn1
InChIInChI=1S/C7H11N5O/c1-2-5(8)6(13)11-7-9-3-4-10-12-7/h3-5H,2,8H2,1H3,(H,9,11,12,13)/t5-/m1/s1
InChIKeyAROWWDITQSBJDS-RXMQYKEDSA-N
MW181.20 g/mol
LogP-0.45
Rot. Bonds3

About (2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide

(2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide (PubChem CID 104919513) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is (2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide
PubChem CID104919513
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name(2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide
SMILESCC[C@@H](N)C(=O)Nc1nccnn1
InChIInChI=1S/C7H11N5O/c1-2-5(8)6(13)11-7-9-3-4-10-12-7/h3-5H,2,8H2,1H3,(H,9,11,12,13)/t5-/m1/s1
InChIKeyAROWWDITQSBJDS-RXMQYKEDSA-N
XLogP-0.45
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-1,2,4-triazin-3-amine
CID 23195164
2-amino-3,3,3-trifluoro-2-methyl-N-(1,2,4-triazin-3-yl)propanamide
CID 114387722
N-(1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 114387802
N-Isopropyl-1,2,4-triazin-3-amine
CID 58336923
(2S)-2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid
CID 67357667
2-Amino-4-(1,2,4-triazin-3-ylamino)butanoic acid
CID 67357671
(2S)-2-amino-3-(1,2,4-triazin-3-ylamino)propanoic acid
CID 89765979
2-Amino-3-(1,2,4-triazin-3-ylamino)propanoic acid
CID 89765983
ethane;N-methylacetamide;1,2,4-triazine
CID 91526773
N-(1,2,4-triazin-5-yl)propanamide
CID 121358009
2-methyl-N-(1,2,4-triazin-5-yl)propanamide
CID 130718007
N-(1,2,4-triazin-3-yl)azetidine-3-carboxamide;hydrochloride
CID 142435601

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide?
The IUPAC name of (2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide (CID 104919513) is (2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide.
What is the SMILES notation for (2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide?
The canonical SMILES for (2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide is CC[C@@H](N)C(=O)Nc1nccnn1.
What is the InChIKey of (2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide?
The InChIKey is AROWWDITQSBJDS-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11N5O/c1-2-5(8)6(13)11-7-9-3-4-10-12-7/h3-5H,2,8H2,1H3,(H,9,11,12,13)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide?
(2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide has a molecular weight of 181.20 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1,2,4-triazin-3-yl)butanamide is sourced from PubChem (CID 104919513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).