N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-methoxy-1,2,4-benzotriazine-3-carboxamide

C15H18N4O3 — CID 91954367

IUPACN-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-methoxy-1,2,4-benzotriazine-3-carboxamide
SMILESCOc1ccc2nnc(C(=O)NCC3(CO)CCC3)nc2c1
InChIInChI=1S/C15H18N4O3/c1-22-10-3-4-11-12(7-10)17-13(19-18-11)14(21)16-8-15(9-20)5-2-6-15/h3-4,7,20H,2,5-6,8-9H2,1H3,(H,16,21)
InChIKeyFMBVTWMXTKVITC-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.93
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-methoxy-1,2,4-benzotriazine-3-carboxamide

N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-methoxy-1,2,4-benzotriazine-3-carboxamide (PubChem CID 91954367) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-methoxy-1,2,4-benzotriazine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-methoxy-1,2,4-benzotriazine-3-carboxamide
PubChem CID91954367
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-methoxy-1,2,4-benzotriazine-3-carboxamide
SMILESCOc1ccc2nnc(C(=O)NCC3(CO)CCC3)nc2c1
InChIInChI=1S/C15H18N4O3/c1-22-10-3-4-11-12(7-10)17-13(19-18-11)14(21)16-8-15(9-20)5-2-6-15/h3-4,7,20H,2,5-6,8-9H2,1H3,(H,16,21)
InChIKeyFMBVTWMXTKVITC-UHFFFAOYSA-N
XLogP0.93
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1,2,4-benzotriazine-3-carboxamide
CID 91954365
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115701396
2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide
CID 115357765
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-4-methoxybenzoic acid
CID 103968378
[1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol
CID 115683825
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
CID 154567874
[1-[[(4-methoxy-6-methyl-2-pyridinyl)methylamino]methyl]cyclopentyl]methanol
CID 82893618
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methoxythiophene-2-carboxamide
CID 112699709
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 75433034
3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115362194
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 110292626
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 115364295

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-methoxy-1,2,4-benzotriazine-3-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-methoxy-1,2,4-benzotriazine-3-carboxamide (CID 91954367) is N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-methoxy-1,2,4-benzotriazine-3-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-methoxy-1,2,4-benzotriazine-3-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-methoxy-1,2,4-benzotriazine-3-carboxamide is COc1ccc2nnc(C(=O)NCC3(CO)CCC3)nc2c1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-methoxy-1,2,4-benzotriazine-3-carboxamide?
The InChIKey is FMBVTWMXTKVITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-22-10-3-4-11-12(7-10)17-13(19-18-11)14(21)16-8-15(9-20)5-2-6-15/h3-4,7,20H,2,5-6,8-9H2,1H3,(H,16,21).
What are the key properties of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-methoxy-1,2,4-benzotriazine-3-carboxamide?
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-methoxy-1,2,4-benzotriazine-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-methoxy-1,2,4-benzotriazine-3-carboxamide is sourced from PubChem (CID 91954367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).