1-(furan-3-ylmethyl)-5-[(E)-prop-1-enyl]tetrazole

C9H10N4O — CID 57325129

IUPAC1-(furan-3-ylmethyl)-5-[(E)-prop-1-enyl]tetrazole
SMILESC/C=C/c1nnnn1Cc1ccoc1
InChIInChI=1S/C9H10N4O/c1-2-3-9-10-11-12-13(9)6-8-4-5-14-7-8/h2-5,7H,6H2,1H3/b3-2+
InChIKeyMCQKOVXFJIMYEY-NSCUHMNNSA-N
MW190.21 g/mol
LogP1.35
Rot. Bonds3

About 1-(furan-3-ylmethyl)-5-[(E)-prop-1-enyl]tetrazole

1-(furan-3-ylmethyl)-5-[(E)-prop-1-enyl]tetrazole (PubChem CID 57325129) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-5-[(E)-prop-1-enyl]tetrazole.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-5-[(E)-prop-1-enyl]tetrazole
PubChem CID57325129
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name1-(furan-3-ylmethyl)-5-[(E)-prop-1-enyl]tetrazole
SMILESC/C=C/c1nnnn1Cc1ccoc1
InChIInChI=1S/C9H10N4O/c1-2-3-9-10-11-12-13(9)6-8-4-5-14-7-8/h2-5,7H,6H2,1H3/b3-2+
InChIKeyMCQKOVXFJIMYEY-NSCUHMNNSA-N
XLogP1.35
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Tetrazole-1-acetic acid, 5-(3-furanyl)-
CID 3077543
N'-(5-ethyl-1-methyl-1H-1,2,4-triazol-3-yl)-N-(3-furylmethyl)-N-methylurea
CID 28735668
3-(1,5-Dimethyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea
CID 46995560
(3-furylmethyl)[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]methylamine
CID 50950790
5-(Furan-3-yl)-3-(methoxymethyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 131898831
1-[2-(2,2-difluorocyclopropyl)oxyethyl]-N-ethyl-N-(furan-3-ylmethyl)tetrazol-5-amine
CID 166258172
[5-(3-Furyl)tetrazol-1-yl] acetic acid 2-hydroxyethyl ester
CID 10220346
1-Methyl-5-(2-methylsulfanylfuran-3-yl)tetrazole
CID 54033973
3-(Furan-3-yl)-4-methyl-1,2,4-triazole
CID 54241476
5-(2-Bromofuran-3-yl)-1-methyltetrazole
CID 57074292
5-(Furan-3-yl)-1-methyltetrazole
CID 57104153
3-(furan-3-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 58095876

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-5-[(E)-prop-1-enyl]tetrazole?
The IUPAC name of 1-(furan-3-ylmethyl)-5-[(E)-prop-1-enyl]tetrazole (CID 57325129) is 1-(furan-3-ylmethyl)-5-[(E)-prop-1-enyl]tetrazole.
What is the SMILES notation for 1-(furan-3-ylmethyl)-5-[(E)-prop-1-enyl]tetrazole?
The canonical SMILES for 1-(furan-3-ylmethyl)-5-[(E)-prop-1-enyl]tetrazole is C/C=C/c1nnnn1Cc1ccoc1.
What is the InChIKey of 1-(furan-3-ylmethyl)-5-[(E)-prop-1-enyl]tetrazole?
The InChIKey is MCQKOVXFJIMYEY-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H10N4O/c1-2-3-9-10-11-12-13(9)6-8-4-5-14-7-8/h2-5,7H,6H2,1H3/b3-2+.
What are the key properties of 1-(furan-3-ylmethyl)-5-[(E)-prop-1-enyl]tetrazole?
1-(furan-3-ylmethyl)-5-[(E)-prop-1-enyl]tetrazole has a molecular weight of 190.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-5-[(E)-prop-1-enyl]tetrazole is sourced from PubChem (CID 57325129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).