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

C15H17N5O — CID 9340654

IUPACN-[(2R)-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-/m1/s1
InChIKeyDCIGKKSCJPEGFW-GFCCVEGCSA-N
MW283.33 g/mol
LogP2.69
Rot. Bonds6

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

N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine (PubChem CID 9340654) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2R)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine
PubChem CID9340654
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-[(2R)-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-/m1/s1
InChIKeyDCIGKKSCJPEGFW-GFCCVEGCSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine (CID 9340654) is N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine is C[C@H](CCc1ccco1)Nc1nnnn1-c1ccccc1.
What is the InChIKey of N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine?
The InChIKey is DCIGKKSCJPEGFW-GFCCVEGCSA-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-/m1/s1.
What are the key properties of N-[(2R)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine?
N-[(2R)-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-[(2R)-4-(furan-2-yl)butan-2-yl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 9340654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).