2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid

C7H11N5O2 — CID 67357671

IUPAC2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid
SMILESNC(CCNc1nccnn1)C(=O)O
InChIInChI=1S/C7H11N5O2/c8-5(6(13)14)1-2-9-7-10-3-4-11-12-7/h3-5H,1-2,8H2,(H,13,14)(H,9,10,12)
InChIKeyQGIDZWGYHTZKST-UHFFFAOYSA-N
MW197.20 g/mol
LogP-0.91
Rot. Bonds5

About 2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid

2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid (PubChem CID 67357671) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid
PubChem CID67357671
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid
SMILESNC(CCNc1nccnn1)C(=O)O
InChIInChI=1S/C7H11N5O2/c8-5(6(13)14)1-2-9-7-10-3-4-11-12-7/h3-5H,1-2,8H2,(H,13,14)(H,9,10,12)
InChIKeyQGIDZWGYHTZKST-UHFFFAOYSA-N
XLogP-0.91
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-6-(1,2,4-triazin-3-ylamino)hexanoic acid
CID 67355936
(2S)-2-amino-5-(1,2,4-triazin-3-ylamino)pentanoic acid
CID 67355937
2-Amino-6-(1,2,4-triazin-3-ylamino)hexanoic acid
CID 67355938
2-Amino-5-(1,2,4-triazin-3-ylamino)pentanoic acid
CID 67355941
(2S)-2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid
CID 67357667
5-Amino-6-(1,2,4-triazin-3-ylamino)hexanoic acid
CID 67378381
(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
(2S)-2-amino-3-(6-phosphono-1,2,4-triazin-3-yl)propanoic acid
CID 122419467
2-Amino-3-(6-phosphono-1,2,4-triazin-3-yl)propanoic acid
CID 122419475
4-Oxo-4-(1,2,4-triazin-3-ylamino)butanoic acid
CID 24073784
2-(1,2,4-Triazin-3-ylamino)acetic acid
CID 83826415

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid?
The IUPAC name of 2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid (CID 67357671) is 2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid is NC(CCNc1nccnn1)C(=O)O.
What is the InChIKey of 2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid?
The InChIKey is QGIDZWGYHTZKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c8-5(6(13)14)1-2-9-7-10-3-4-11-12-7/h3-5H,1-2,8H2,(H,13,14)(H,9,10,12).
What are the key properties of 2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid?
2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid has a molecular weight of 197.20 g/mol, XLogP of -0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1,2,4-triazin-3-ylamino)butanoic acid is sourced from PubChem (CID 67357671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).