1-cyclopropyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one

C10H16N4O2 — CID 107047496

IUPAC1-cyclopropyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCCOC(C(=O)Cc1nnn(C)n1)C1CC1
InChIInChI=1S/C10H16N4O2/c1-3-16-10(7-4-5-7)8(15)6-9-11-13-14(2)12-9/h7,10H,3-6H2,1-2H3
InChIKeyYVECBSGIVRGWKV-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.14
Rot. Bonds6

About 1-cyclopropyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one

1-cyclopropyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one (PubChem CID 107047496) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one
PubChem CID107047496
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-cyclopropyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCCOC(C(=O)Cc1nnn(C)n1)C1CC1
InChIInChI=1S/C10H16N4O2/c1-3-16-10(7-4-5-7)8(15)6-9-11-13-14(2)12-9/h7,10H,3-6H2,1-2H3
InChIKeyYVECBSGIVRGWKV-UHFFFAOYSA-N
XLogP0.14
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-Ethoxy-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047078
1-(1-Methoxycyclobutyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047475
3-Methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047478
3-Ethoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047481
3-Ethoxy-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107047485
3-Methoxy-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107047487
3-Methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047489
3-Ethoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047491
1-Cyclopropyl-1-methoxy-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047493
3-Methoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047498
3-Ethoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047500
3-Ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047503

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one?
The IUPAC name of 1-cyclopropyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one (CID 107047496) is 1-cyclopropyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-cyclopropyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one?
The canonical SMILES for 1-cyclopropyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one is CCOC(C(=O)Cc1nnn(C)n1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one?
The InChIKey is YVECBSGIVRGWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-16-10(7-4-5-7)8(15)6-9-11-13-14(2)12-9/h7,10H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one?
1-cyclopropyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one has a molecular weight of 224.26 g/mol, XLogP of 0.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one is sourced from PubChem (CID 107047496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).