N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine

C15H17N5O — CID 9340650

IUPACN-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine
SMILESC[C@@H](CCc1ccco1)Nc1nnnn1-c1ccccc1
InChIInChI=1S/C15H17N5O/c1-12(9-10-14-8-5-11-21-14)16-15-17-18-19-20(15)13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H,16,17,19)/t12-/m0/s1
InChIKeyDCIGKKSCJPEGFW-LBPRGKRZSA-N
MW283.33 g/mol
LogP2.69
Rot. Bonds6

About N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine

N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine (PubChem CID 9340650) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine
PubChem CID9340650
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine
SMILESC[C@@H](CCc1ccco1)Nc1nnnn1-c1ccccc1
InChIInChI=1S/C15H17N5O/c1-12(9-10-14-8-5-11-21-14)16-15-17-18-19-20(15)13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H,16,17,19)/t12-/m0/s1
InChIKeyDCIGKKSCJPEGFW-LBPRGKRZSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine (CID 9340650) is N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine is C[C@@H](CCc1ccco1)Nc1nnnn1-c1ccccc1.
What is the InChIKey of N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine?
The InChIKey is DCIGKKSCJPEGFW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N5O/c1-12(9-10-14-8-5-11-21-14)16-15-17-18-19-20(15)13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H,16,17,19)/t12-/m0/s1.
What are the key properties of N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine?
N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine has a molecular weight of 283.33 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 9340650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).