N-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide

C13H12N4O2 — CID 18126076

IUPACN-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
SMILESO=C(NCCc1ccco1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C13H12N4O2/c18-13(14-6-5-10-2-1-7-19-10)9-3-4-11-12(8-9)16-17-15-11/h1-4,7-8H,5-6H2,(H,14,18)(H,15,16,17)
InChIKeyVVVLYANFWBGTPQ-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.52
Rot. Bonds4

About N-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide

N-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide (PubChem CID 18126076) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
PubChem CID18126076
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC NameN-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
SMILESO=C(NCCc1ccco1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C13H12N4O2/c18-13(14-6-5-10-2-1-7-19-10)9-3-4-11-12(8-9)16-17-15-11/h1-4,7-8H,5-6H2,(H,14,18)(H,15,16,17)
InChIKeyVVVLYANFWBGTPQ-UHFFFAOYSA-N
XLogP1.52
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(furan-2-yl)propyl]quinoxaline-6-carboxamide
CID 74240216
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CID 113221314
N-[2-(furan-2-yl)ethyl]-4-(pyrimidin-2-ylamino)benzamide
CID 71708375
N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18532713
2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide
CID 62161577
N-[2-(furan-2-yl)ethyl]-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide
CID 81460232
5-[2-(furan-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 104607308
N-[2-(furan-2-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 74233042
3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide
CID 61139466
3-ethyl-N-[2-(furan-2-yl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 47051903
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide (CID 18126076) is N-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide is O=C(NCCc1ccco1)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is VVVLYANFWBGTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c18-13(14-6-5-10-2-1-7-19-10)9-3-4-11-12(8-9)16-17-15-11/h1-4,7-8H,5-6H2,(H,14,18)(H,15,16,17).
What are the key properties of N-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide?
N-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 18126076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).