[5-(aminomethyl)oxolan-2-yl]-(2-methyltetrazol-5-yl)methanone

C8H13N5O2 — CID 131071173

IUPAC[5-(aminomethyl)oxolan-2-yl]-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)C2CCC(CN)O2)n1
InChIInChI=1S/C8H13N5O2/c1-13-11-8(10-12-13)7(14)6-3-2-5(4-9)15-6/h5-6H,2-4,9H2,1H3
InChIKeyOCPKADQGZHIBSR-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.10
Rot. Bonds3

About [5-(aminomethyl)oxolan-2-yl]-(2-methyltetrazol-5-yl)methanone

[5-(aminomethyl)oxolan-2-yl]-(2-methyltetrazol-5-yl)methanone (PubChem CID 131071173) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is [5-(aminomethyl)oxolan-2-yl]-(2-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)oxolan-2-yl]-(2-methyltetrazol-5-yl)methanone
PubChem CID131071173
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name[5-(aminomethyl)oxolan-2-yl]-(2-methyltetrazol-5-yl)methanone
SMILESCn1nnc(C(=O)C2CCC(CN)O2)n1
InChIInChI=1S/C8H13N5O2/c1-13-11-8(10-12-13)7(14)6-3-2-5(4-9)15-6/h5-6H,2-4,9H2,1H3
InChIKeyOCPKADQGZHIBSR-UHFFFAOYSA-N
XLogP-1.10
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)oxolan-2-yl]-(2-methyltetrazol-5-yl)methanone?
The IUPAC name of [5-(aminomethyl)oxolan-2-yl]-(2-methyltetrazol-5-yl)methanone (CID 131071173) is [5-(aminomethyl)oxolan-2-yl]-(2-methyltetrazol-5-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)oxolan-2-yl]-(2-methyltetrazol-5-yl)methanone?
The canonical SMILES for [5-(aminomethyl)oxolan-2-yl]-(2-methyltetrazol-5-yl)methanone is Cn1nnc(C(=O)C2CCC(CN)O2)n1.
What is the InChIKey of [5-(aminomethyl)oxolan-2-yl]-(2-methyltetrazol-5-yl)methanone?
The InChIKey is OCPKADQGZHIBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-13-11-8(10-12-13)7(14)6-3-2-5(4-9)15-6/h5-6H,2-4,9H2,1H3.
What are the key properties of [5-(aminomethyl)oxolan-2-yl]-(2-methyltetrazol-5-yl)methanone?
[5-(aminomethyl)oxolan-2-yl]-(2-methyltetrazol-5-yl)methanone has a molecular weight of 211.22 g/mol, XLogP of -1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)oxolan-2-yl]-(2-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 131071173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).