N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,2,4-benzotriazine-3-carboxamide

C14H16N4O2 — CID 91954365

IUPACN-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,2,4-benzotriazine-3-carboxamide
SMILESO=C(NCC1(CO)CCC1)c1nnc2ccccc2n1
InChIInChI=1S/C14H16N4O2/c19-9-14(6-3-7-14)8-15-13(20)12-16-10-4-1-2-5-11(10)17-18-12/h1-2,4-5,19H,3,6-9H2,(H,15,20)
InChIKeyGUQDROCJAAVWNY-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.92
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,2,4-benzotriazine-3-carboxamide

N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,2,4-benzotriazine-3-carboxamide (PubChem CID 91954365) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,2,4-benzotriazine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,2,4-benzotriazine-3-carboxamide
PubChem CID91954365
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,2,4-benzotriazine-3-carboxamide
SMILESO=C(NCC1(CO)CCC1)c1nnc2ccccc2n1
InChIInChI=1S/C14H16N4O2/c19-9-14(6-3-7-14)8-15-13(20)12-16-10-4-1-2-5-11(10)17-18-12/h1-2,4-5,19H,3,6-9H2,(H,15,20)
InChIKeyGUQDROCJAAVWNY-UHFFFAOYSA-N
XLogP0.92
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,2,4-benzotriazine-3-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,2,4-benzotriazine-3-carboxamide (CID 91954365) is N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,2,4-benzotriazine-3-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,2,4-benzotriazine-3-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,2,4-benzotriazine-3-carboxamide is O=C(NCC1(CO)CCC1)c1nnc2ccccc2n1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,2,4-benzotriazine-3-carboxamide?
The InChIKey is GUQDROCJAAVWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-9-14(6-3-7-14)8-15-13(20)12-16-10-4-1-2-5-11(10)17-18-12/h1-2,4-5,19H,3,6-9H2,(H,15,20).
What are the key properties of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,2,4-benzotriazine-3-carboxamide?
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,2,4-benzotriazine-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,2,4-benzotriazine-3-carboxamide is sourced from PubChem (CID 91954365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).