(1-propyltetrazol-5-yl)methyl furan-3-carboxylate

C10H12N4O3 — CID 55463280

IUPAC(1-propyltetrazol-5-yl)methyl furan-3-carboxylate
SMILESCCCn1nnnc1COC(=O)c1ccoc1
InChIInChI=1S/C10H12N4O3/c1-2-4-14-9(11-12-13-14)7-17-10(15)8-3-5-16-6-8/h3,5-6H,2,4,7H2,1H3
InChIKeyLPHIFYVWRIRYQP-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.03
Rot. Bonds5

About (1-propyltetrazol-5-yl)methyl furan-3-carboxylate

(1-propyltetrazol-5-yl)methyl furan-3-carboxylate (PubChem CID 55463280) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl furan-3-carboxylate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl furan-3-carboxylate
PubChem CID55463280
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name(1-propyltetrazol-5-yl)methyl furan-3-carboxylate
SMILESCCCn1nnnc1COC(=O)c1ccoc1
InChIInChI=1S/C10H12N4O3/c1-2-4-14-9(11-12-13-14)7-17-10(15)8-3-5-16-6-8/h3,5-6H,2,4,7H2,1H3
InChIKeyLPHIFYVWRIRYQP-UHFFFAOYSA-N
XLogP1.03
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl furan-3-carboxylate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl furan-3-carboxylate (CID 55463280) is (1-propyltetrazol-5-yl)methyl furan-3-carboxylate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl furan-3-carboxylate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl furan-3-carboxylate is CCCn1nnnc1COC(=O)c1ccoc1.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl furan-3-carboxylate?
The InChIKey is LPHIFYVWRIRYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-2-4-14-9(11-12-13-14)7-17-10(15)8-3-5-16-6-8/h3,5-6H,2,4,7H2,1H3.
What are the key properties of (1-propyltetrazol-5-yl)methyl furan-3-carboxylate?
(1-propyltetrazol-5-yl)methyl furan-3-carboxylate has a molecular weight of 236.23 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methyl furan-3-carboxylate is sourced from PubChem (CID 55463280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).