2-[cyclopentyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid

C12H18N4O2 — CID 114785909

IUPAC2-[cyclopentyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid
SMILESCc1nnc(N(CC(=O)O)C2CCCC2)nc1C
InChIInChI=1S/C12H18N4O2/c1-8-9(2)14-15-12(13-8)16(7-11(17)18)10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H,17,18)
InChIKeyGKRPDLQWPGRLTI-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.32
Rot. Bonds4

About 2-[cyclopentyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid

2-[cyclopentyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid (PubChem CID 114785909) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[cyclopentyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid
PubChem CID114785909
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[cyclopentyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid
SMILESCc1nnc(N(CC(=O)O)C2CCCC2)nc1C
InChIInChI=1S/C12H18N4O2/c1-8-9(2)14-15-12(13-8)16(7-11(17)18)10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H,17,18)
InChIKeyGKRPDLQWPGRLTI-UHFFFAOYSA-N
XLogP1.32
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid (CID 114785909) is 2-[cyclopentyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid is Cc1nnc(N(CC(=O)O)C2CCCC2)nc1C.
What is the InChIKey of 2-[cyclopentyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid?
The InChIKey is GKRPDLQWPGRLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-9(2)14-15-12(13-8)16(7-11(17)18)10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[cyclopentyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid?
2-[cyclopentyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]acetic acid is sourced from PubChem (CID 114785909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).