N-[(3R,4S)-3-methoxyoxan-4-yl]-1-phenyltetrazol-5-amine

C13H17N5O2 — CID 131926709

IUPACN-[(3R,4S)-3-methoxyoxan-4-yl]-1-phenyltetrazol-5-amine
SMILESCO[C@H]1COCC[C@@H]1Nc1nnnn1-c1ccccc1
InChIInChI=1S/C13H17N5O2/c1-19-12-9-20-8-7-11(12)14-13-15-16-17-18(13)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,14,15,17)/t11-,12-/m0/s1
InChIKeyPZQVLWQBXBNFAM-RYUDHWBXSA-N
MW275.31 g/mol
LogP0.88
Rot. Bonds4

About N-[(3R,4S)-3-methoxyoxan-4-yl]-1-phenyltetrazol-5-amine

N-[(3R,4S)-3-methoxyoxan-4-yl]-1-phenyltetrazol-5-amine (PubChem CID 131926709) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(3R,4S)-3-methoxyoxan-4-yl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(3R,4S)-3-methoxyoxan-4-yl]-1-phenyltetrazol-5-amine
PubChem CID131926709
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[(3R,4S)-3-methoxyoxan-4-yl]-1-phenyltetrazol-5-amine
SMILESCO[C@H]1COCC[C@@H]1Nc1nnnn1-c1ccccc1
InChIInChI=1S/C13H17N5O2/c1-19-12-9-20-8-7-11(12)14-13-15-16-17-18(13)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,14,15,17)/t11-,12-/m0/s1
InChIKeyPZQVLWQBXBNFAM-RYUDHWBXSA-N
XLogP0.88
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3R,4S)-3-methoxyoxan-4-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-[(3R,4S)-3-methoxyoxan-4-yl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(3R,4S)-3-methoxyoxan-4-yl]-1-phenyltetrazol-5-amine (CID 131926709) is N-[(3R,4S)-3-methoxyoxan-4-yl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(3R,4S)-3-methoxyoxan-4-yl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(3R,4S)-3-methoxyoxan-4-yl]-1-phenyltetrazol-5-amine is CO[C@H]1COCC[C@@H]1Nc1nnnn1-c1ccccc1.
What is the InChIKey of N-[(3R,4S)-3-methoxyoxan-4-yl]-1-phenyltetrazol-5-amine?
The InChIKey is PZQVLWQBXBNFAM-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-19-12-9-20-8-7-11(12)14-13-15-16-17-18(13)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,14,15,17)/t11-,12-/m0/s1.
What are the key properties of N-[(3R,4S)-3-methoxyoxan-4-yl]-1-phenyltetrazol-5-amine?
N-[(3R,4S)-3-methoxyoxan-4-yl]-1-phenyltetrazol-5-amine has a molecular weight of 275.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-methoxyoxan-4-yl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 131926709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).