1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethylcarbamic acid

C10H12N4O3 — CID 136629126

IUPAC1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethylcarbamic acid
SMILESCc1ccn2nc(C(C)NC(=O)O)[nH]c(=O)c12
InChIInChI=1S/C10H12N4O3/c1-5-3-4-14-7(5)9(15)12-8(13-14)6(2)11-10(16)17/h3-4,6,11H,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyNPQHXAMYVACDBX-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.66
Rot. Bonds2

About 1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethylcarbamic acid

1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethylcarbamic acid (PubChem CID 136629126) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethylcarbamic acid.

Molecular Properties

Compound Name1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethylcarbamic acid
PubChem CID136629126
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethylcarbamic acid
SMILESCc1ccn2nc(C(C)NC(=O)O)[nH]c(=O)c12
InChIInChI=1S/C10H12N4O3/c1-5-3-4-14-7(5)9(15)12-8(13-14)6(2)11-10(16)17/h3-4,6,11H,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyNPQHXAMYVACDBX-UHFFFAOYSA-N
XLogP0.66
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethylcarbamic acid?
The IUPAC name of 1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethylcarbamic acid (CID 136629126) is 1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethylcarbamic acid.
What is the SMILES notation for 1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethylcarbamic acid?
The canonical SMILES for 1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethylcarbamic acid is Cc1ccn2nc(C(C)NC(=O)O)[nH]c(=O)c12.
What is the InChIKey of 1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethylcarbamic acid?
The InChIKey is NPQHXAMYVACDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-5-3-4-14-7(5)9(15)12-8(13-14)6(2)11-10(16)17/h3-4,6,11H,1-2H3,(H,16,17)(H,12,13,15).
What are the key properties of 1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethylcarbamic acid?
1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethylcarbamic acid has a molecular weight of 236.23 g/mol, XLogP of 0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethylcarbamic acid is sourced from PubChem (CID 136629126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).