5-amino-6-(1,2,4-triazin-3-ylamino)hexanoic acid

C9H15N5O2 — CID 67378381

IUPAC5-amino-6-(1,2,4-triazin-3-ylamino)hexanoic acid
SMILESNC(CCCC(=O)O)CNc1nccnn1
InChIInChI=1S/C9H15N5O2/c10-7(2-1-3-8(15)16)6-12-9-11-4-5-13-14-9/h4-5,7H,1-3,6,10H2,(H,15,16)(H,11,12,14)
InChIKeyKVALWWZVYJBGRS-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.13
Rot. Bonds7

About 5-amino-6-(1,2,4-triazin-3-ylamino)hexanoic acid

5-amino-6-(1,2,4-triazin-3-ylamino)hexanoic acid (PubChem CID 67378381) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-amino-6-(1,2,4-triazin-3-ylamino)hexanoic acid.

Molecular Properties

Compound Name5-amino-6-(1,2,4-triazin-3-ylamino)hexanoic acid
PubChem CID67378381
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name5-amino-6-(1,2,4-triazin-3-ylamino)hexanoic acid
SMILESNC(CCCC(=O)O)CNc1nccnn1
InChIInChI=1S/C9H15N5O2/c10-7(2-1-3-8(15)16)6-12-9-11-4-5-13-14-9/h4-5,7H,1-3,6,10H2,(H,15,16)(H,11,12,14)
InChIKeyKVALWWZVYJBGRS-UHFFFAOYSA-N
XLogP-0.13
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1,2,4-triazin-3-ylamino)hexanoic acid?
The IUPAC name of 5-amino-6-(1,2,4-triazin-3-ylamino)hexanoic acid (CID 67378381) is 5-amino-6-(1,2,4-triazin-3-ylamino)hexanoic acid.
What is the SMILES notation for 5-amino-6-(1,2,4-triazin-3-ylamino)hexanoic acid?
The canonical SMILES for 5-amino-6-(1,2,4-triazin-3-ylamino)hexanoic acid is NC(CCCC(=O)O)CNc1nccnn1.
What is the InChIKey of 5-amino-6-(1,2,4-triazin-3-ylamino)hexanoic acid?
The InChIKey is KVALWWZVYJBGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c10-7(2-1-3-8(15)16)6-12-9-11-4-5-13-14-9/h4-5,7H,1-3,6,10H2,(H,15,16)(H,11,12,14).
What are the key properties of 5-amino-6-(1,2,4-triazin-3-ylamino)hexanoic acid?
5-amino-6-(1,2,4-triazin-3-ylamino)hexanoic acid has a molecular weight of 225.25 g/mol, XLogP of -0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1,2,4-triazin-3-ylamino)hexanoic acid is sourced from PubChem (CID 67378381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).