1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide

C14H14N4O2 — CID 53051567

IUPAC1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(c2)nnn3C)o1
InChIInChI=1S/C14H14N4O2/c1-9-3-5-11(20-9)8-15-14(19)10-4-6-13-12(7-10)16-17-18(13)2/h3-7H,8H2,1-2H3,(H,15,19)
InChIKeyHIAXIXVKIOEXIO-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.80
Rot. Bonds3

About 1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide

1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide (PubChem CID 53051567) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide
PubChem CID53051567
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3c(c2)nnn3C)o1
InChIInChI=1S/C14H14N4O2/c1-9-3-5-11(20-9)8-15-14(19)10-4-6-13-12(7-10)16-17-18(13)2/h3-7H,8H2,1-2H3,(H,15,19)
InChIKeyHIAXIXVKIOEXIO-UHFFFAOYSA-N
XLogP1.80
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731633
1-ethyl-3-methyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 53058290
N-butyl-1-methylbenzotriazole-5-carboxamide
CID 71933405
N-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride
CID 119625904
N-(3-aminopropyl)-1-methylbenzotriazole-5-carboxamide
CID 119404950
3,5-dimethyl-N-[(1-methylbenzotriazol-5-yl)methyl]benzamide
CID 53014035
1-ethyl-2,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]indole-5-carboxamide
CID 20940113
4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 63213507
1,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 39854570
4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731652
2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-3-carboxamide
CID 131933266
2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349456

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide (CID 53051567) is 1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide is Cc1ccc(CNC(=O)c2ccc3c(c2)nnn3C)o1.
What is the InChIKey of 1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide?
The InChIKey is HIAXIXVKIOEXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-3-5-11(20-9)8-15-14(19)10-4-6-13-12(7-10)16-17-18(13)2/h3-7H,8H2,1-2H3,(H,15,19).
What are the key properties of 1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide?
1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 53051567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).