(1-ethylcyclopentyl)-(2-methyltetrazol-5-yl)methanone

C10H16N4O — CID 130964888

IUPAC(1-ethylcyclopentyl)-(2-methyltetrazol-5-yl)methanone
SMILESCCC1(C(=O)c2nnn(C)n2)CCCC1
InChIInChI=1S/C10H16N4O/c1-3-10(6-4-5-7-10)8(15)9-11-13-14(2)12-9/h3-7H2,1-2H3
InChIKeyITHOCNQFUNVPDZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.36
Rot. Bonds3

About (1-ethylcyclopentyl)-(2-methyltetrazol-5-yl)methanone

(1-ethylcyclopentyl)-(2-methyltetrazol-5-yl)methanone (PubChem CID 130964888) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (1-ethylcyclopentyl)-(2-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name(1-ethylcyclopentyl)-(2-methyltetrazol-5-yl)methanone
PubChem CID130964888
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(1-ethylcyclopentyl)-(2-methyltetrazol-5-yl)methanone
SMILESCCC1(C(=O)c2nnn(C)n2)CCCC1
InChIInChI=1S/C10H16N4O/c1-3-10(6-4-5-7-10)8(15)9-11-13-14(2)12-9/h3-7H2,1-2H3
InChIKeyITHOCNQFUNVPDZ-UHFFFAOYSA-N
XLogP1.36
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl)-(2-methyltetrazol-5-yl)methanone?
The IUPAC name of (1-ethylcyclopentyl)-(2-methyltetrazol-5-yl)methanone (CID 130964888) is (1-ethylcyclopentyl)-(2-methyltetrazol-5-yl)methanone.
What is the SMILES notation for (1-ethylcyclopentyl)-(2-methyltetrazol-5-yl)methanone?
The canonical SMILES for (1-ethylcyclopentyl)-(2-methyltetrazol-5-yl)methanone is CCC1(C(=O)c2nnn(C)n2)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl)-(2-methyltetrazol-5-yl)methanone?
The InChIKey is ITHOCNQFUNVPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-3-10(6-4-5-7-10)8(15)9-11-13-14(2)12-9/h3-7H2,1-2H3.
What are the key properties of (1-ethylcyclopentyl)-(2-methyltetrazol-5-yl)methanone?
(1-ethylcyclopentyl)-(2-methyltetrazol-5-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl)-(2-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 130964888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).