N-[(4-fluorophenyl)methyl]-1-prop-2-enyltetrazol-5-amine

C11H12FN5 — CID 3164475

IUPACN-[(4-fluorophenyl)methyl]-1-prop-2-enyltetrazol-5-amine
SMILESC=CCn1nnnc1NCc1ccc(F)cc1
InChIInChI=1S/C11H12FN5/c1-2-7-17-11(14-15-16-17)13-8-9-3-5-10(12)6-4-9/h2-6H,1,7-8H2,(H,13,14,16)
InChIKeyYJUUKFOTPMKADN-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.61
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-prop-2-enyltetrazol-5-amine

N-[(4-fluorophenyl)methyl]-1-prop-2-enyltetrazol-5-amine (PubChem CID 3164475) has the molecular formula C11H12FN5 and a molecular weight of 233.25 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-prop-2-enyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-prop-2-enyltetrazol-5-amine
PubChem CID3164475
Molecular FormulaC11H12FN5
Molecular Weight233.25 g/mol
Exact Mass233.11
IUPAC NameN-[(4-fluorophenyl)methyl]-1-prop-2-enyltetrazol-5-amine
SMILESC=CCn1nnnc1NCc1ccc(F)cc1
InChIInChI=1S/C11H12FN5/c1-2-7-17-11(14-15-16-17)13-8-9-3-5-10(12)6-4-9/h2-6H,1,7-8H2,(H,13,14,16)
InChIKeyYJUUKFOTPMKADN-UHFFFAOYSA-N
XLogP1.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(Phenylmethyl)-1H-1,2,4-triazole
CID 22458
1-benzyl-1H-1,2,3,4-tetrazol-5-amine
CID 563074
1-methyl-N-(2-methylbenzyl)-1H-tetrazol-5-amine
CID 834605
1-methyl-N-[(4-propan-2-ylphenyl)methyl]tetrazol-5-amine
CID 4727590
N-[(3-chlorophenyl)methyl]-1-propyltetrazol-5-amine
CID 4727782
1-benzyl-1H-1,2,3,4-tetrazole
CID 3822426
N-(1-ethyl-1H-tetraazol-5-yl)-N-[4-(methylsulfanyl)benzyl]amine
CID 834578
(4-Isopropyl-benzyl)-(1-propyl-1H-tetrazol-5-yl)-amine
CID 2964094
5-Methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3659941
N-[(2-fluorophenyl)methyl]-1-methyltetrazol-5-amine
CID 4725597
N-(2-chlorobenzyl)-1-propyl-1H-tetrazol-5-amine
CID 4725625
N-(2-fluorobenzyl)-1-propyl-1H-tetrazol-5-amine
CID 4725628

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-prop-2-enyltetrazol-5-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-prop-2-enyltetrazol-5-amine (CID 3164475) is N-[(4-fluorophenyl)methyl]-1-prop-2-enyltetrazol-5-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-prop-2-enyltetrazol-5-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-prop-2-enyltetrazol-5-amine is C=CCn1nnnc1NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-prop-2-enyltetrazol-5-amine?
The InChIKey is YJUUKFOTPMKADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5/c1-2-7-17-11(14-15-16-17)13-8-9-3-5-10(12)6-4-9/h2-6H,1,7-8H2,(H,13,14,16).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-prop-2-enyltetrazol-5-amine?
N-[(4-fluorophenyl)methyl]-1-prop-2-enyltetrazol-5-amine has a molecular weight of 233.25 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-prop-2-enyltetrazol-5-amine is sourced from PubChem (CID 3164475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).