N-[(5-phenylfuran-2-yl)methyl]-1-propyltetrazol-5-amine

C15H17N5O — CID 4726872

IUPACN-[(5-phenylfuran-2-yl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C15H17N5O/c1-2-10-20-15(17-18-19-20)16-11-13-8-9-14(21-13)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,16,17,19)
InChIKeyAPSBBYIHOAJJTH-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.96
Rot. Bonds6

About N-[(5-phenylfuran-2-yl)methyl]-1-propyltetrazol-5-amine

N-[(5-phenylfuran-2-yl)methyl]-1-propyltetrazol-5-amine (PubChem CID 4726872) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(5-phenylfuran-2-yl)methyl]-1-propyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(5-phenylfuran-2-yl)methyl]-1-propyltetrazol-5-amine
PubChem CID4726872
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-[(5-phenylfuran-2-yl)methyl]-1-propyltetrazol-5-amine
SMILESCCCn1nnnc1NCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C15H17N5O/c1-2-10-20-15(17-18-19-20)16-11-13-8-9-14(21-13)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,16,17,19)
InChIKeyAPSBBYIHOAJJTH-UHFFFAOYSA-N
XLogP2.96
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-phenylfuran-2-yl)methyl]-1-propyltetrazol-5-amine?
The IUPAC name of N-[(5-phenylfuran-2-yl)methyl]-1-propyltetrazol-5-amine (CID 4726872) is N-[(5-phenylfuran-2-yl)methyl]-1-propyltetrazol-5-amine.
What is the SMILES notation for N-[(5-phenylfuran-2-yl)methyl]-1-propyltetrazol-5-amine?
The canonical SMILES for N-[(5-phenylfuran-2-yl)methyl]-1-propyltetrazol-5-amine is CCCn1nnnc1NCc1ccc(-c2ccccc2)o1.
What is the InChIKey of N-[(5-phenylfuran-2-yl)methyl]-1-propyltetrazol-5-amine?
The InChIKey is APSBBYIHOAJJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-10-20-15(17-18-19-20)16-11-13-8-9-14(21-13)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,16,17,19).
What are the key properties of N-[(5-phenylfuran-2-yl)methyl]-1-propyltetrazol-5-amine?
N-[(5-phenylfuran-2-yl)methyl]-1-propyltetrazol-5-amine has a molecular weight of 283.33 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenylfuran-2-yl)methyl]-1-propyltetrazol-5-amine is sourced from PubChem (CID 4726872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).