N-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine

C15H14FN5 — CID 9195049

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine
SMILESC[C@@H](Nc1nnnn1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H14FN5/c1-11(12-7-9-13(16)10-8-12)17-15-18-19-20-21(15)14-5-3-2-4-6-14/h2-11H,1H3,(H,17,18,20)/t11-/m1/s1
InChIKeyCDRKHEZXTFJWCM-LLVKDONJSA-N
MW283.31 g/mol
LogP2.97
Rot. Bonds4

About N-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine

N-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine (PubChem CID 9195049) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine
PubChem CID9195049
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine
SMILESC[C@@H](Nc1nnnn1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H14FN5/c1-11(12-7-9-13(16)10-8-12)17-15-18-19-20-21(15)14-5-3-2-4-6-14/h2-11H,1H3,(H,17,18,20)/t11-/m1/s1
InChIKeyCDRKHEZXTFJWCM-LLVKDONJSA-N
XLogP2.97
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]tetrazol-5-amine
CID 9030099
N-[1-(3-chlorophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 42909642
N-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 60746209
N-[1-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 60703954
1-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]tetrazol-5-amine
CID 106282877
(1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 97325529
2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 43388771
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide
CID 27261462
1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine
CID 9107188
1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)tetrazol-5-amine
CID 61462761
1-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]tetrazol-5-amine
CID 95243042
2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol
CID 106186033

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine (CID 9195049) is N-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine is C[C@@H](Nc1nnnn1-c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine?
The InChIKey is CDRKHEZXTFJWCM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14FN5/c1-11(12-7-9-13(16)10-8-12)17-15-18-19-20-21(15)14-5-3-2-4-6-14/h2-11H,1H3,(H,17,18,20)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine?
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine has a molecular weight of 283.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 9195049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).