N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine

C14H13Cl2N5O — CID 39860677

IUPACN-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine
SMILESCCn1nnc(NCc2ccc(-c3cc(Cl)cc(Cl)c3)o2)n1
InChIInChI=1S/C14H13Cl2N5O/c1-2-21-19-14(18-20-21)17-8-12-3-4-13(22-12)9-5-10(15)7-11(16)6-9/h3-7H,2,8H2,1H3,(H,17,19)
InChIKeyIBFHVDYHGJUJBI-UHFFFAOYSA-N
MW338.20 g/mol
LogP3.87
Rot. Bonds5

About N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine

N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine (PubChem CID 39860677) has the molecular formula C14H13Cl2N5O and a molecular weight of 338.20 g/mol. Its IUPAC name is N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine
PubChem CID39860677
Molecular FormulaC14H13Cl2N5O
Molecular Weight338.20 g/mol
Exact Mass337.05
IUPAC NameN-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine
SMILESCCn1nnc(NCc2ccc(-c3cc(Cl)cc(Cl)c3)o2)n1
InChIInChI=1S/C14H13Cl2N5O/c1-2-21-19-14(18-20-21)17-8-12-3-4-13(22-12)9-5-10(15)7-11(16)6-9/h3-7H,2,8H2,1H3,(H,17,19)
InChIKeyIBFHVDYHGJUJBI-UHFFFAOYSA-N
XLogP3.87
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine?
The IUPAC name of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine (CID 39860677) is N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine.
What is the SMILES notation for N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine?
The canonical SMILES for N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine is CCn1nnc(NCc2ccc(-c3cc(Cl)cc(Cl)c3)o2)n1.
What is the InChIKey of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine?
The InChIKey is IBFHVDYHGJUJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N5O/c1-2-21-19-14(18-20-21)17-8-12-3-4-13(22-12)9-5-10(15)7-11(16)6-9/h3-7H,2,8H2,1H3,(H,17,19).
What are the key properties of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine?
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine has a molecular weight of 338.20 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine is sourced from PubChem (CID 39860677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).