N'-(3-fluorophenyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine

C11H15FN6 — CID 63152450

IUPACN'-(3-fluorophenyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
SMILESCn1nnnc1N(CCCN)c1cccc(F)c1
InChIInChI=1S/C11H15FN6/c1-17-11(14-15-16-17)18(7-3-6-13)10-5-2-4-9(12)8-10/h2,4-5,8H,3,6-7,13H2,1H3
InChIKeyKNCTVHOZGFCPQY-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.84
Rot. Bonds5

About N'-(3-fluorophenyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine

N'-(3-fluorophenyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine (PubChem CID 63152450) has the molecular formula C11H15FN6 and a molecular weight of 250.28 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
PubChem CID63152450
Molecular FormulaC11H15FN6
Molecular Weight250.28 g/mol
Exact Mass250.13
IUPAC NameN'-(3-fluorophenyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
SMILESCn1nnnc1N(CCCN)c1cccc(F)c1
InChIInChI=1S/C11H15FN6/c1-17-11(14-15-16-17)18(7-3-6-13)10-5-2-4-9(12)8-10/h2,4-5,8H,3,6-7,13H2,1H3
InChIKeyKNCTVHOZGFCPQY-UHFFFAOYSA-N
XLogP0.84
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-(3-fluorophenyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine (CID 63152450) is N'-(3-fluorophenyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-fluorophenyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-(3-fluorophenyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine is Cn1nnnc1N(CCCN)c1cccc(F)c1.
What is the InChIKey of N'-(3-fluorophenyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine?
The InChIKey is KNCTVHOZGFCPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN6/c1-17-11(14-15-16-17)18(7-3-6-13)10-5-2-4-9(12)8-10/h2,4-5,8H,3,6-7,13H2,1H3.
What are the key properties of N'-(3-fluorophenyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine?
N'-(3-fluorophenyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine has a molecular weight of 250.28 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 63152450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).