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

C8H12N4O — CID 130863372

IUPAC(1-ethylcyclopropyl)-(2-methyltetrazol-5-yl)methanone
SMILESCCC1(C(=O)c2nnn(C)n2)CC1
InChIInChI=1S/C8H12N4O/c1-3-8(4-5-8)6(13)7-9-11-12(2)10-7/h3-5H2,1-2H3
InChIKeyFRBKMKKBLMFLAI-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.58
Rot. Bonds3

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

(1-ethylcyclopropyl)-(2-methyltetrazol-5-yl)methanone (PubChem CID 130863372) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is (1-ethylcyclopropyl)-(2-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name(1-ethylcyclopropyl)-(2-methyltetrazol-5-yl)methanone
PubChem CID130863372
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name(1-ethylcyclopropyl)-(2-methyltetrazol-5-yl)methanone
SMILESCCC1(C(=O)c2nnn(C)n2)CC1
InChIInChI=1S/C8H12N4O/c1-3-8(4-5-8)6(13)7-9-11-12(2)10-7/h3-5H2,1-2H3
InChIKeyFRBKMKKBLMFLAI-UHFFFAOYSA-N
XLogP0.58
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-Dimethyl-1-(2-methyltetrazol-5-yl)butan-2-one
CID 11816240
3,3-Dimethyl-4-(2-methyltetrazol-5-yl)butan-2-one
CID 69535159
3-Methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]butan-1-one
CID 137470716
3-[(2-Methyltetrazol-5-yl)methyl]pentan-2-one
CID 107044510
1-[1-[(2-Methyltetrazol-5-yl)methyl]cyclopropyl]ethanone
CID 107044560
1-(1-Methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047335
1-[1-(Aminomethyl)cyclopropyl]-2-(2-methyltetrazol-5-yl)ethanone
CID 107062383
3,3-Dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107063185
1-(2-Methyltetrazol-5-yl)butan-1-one
CID 127004791
2-Methyl-1-(2-methyltetrazol-5-yl)butan-1-one
CID 127004793
(2-Methyltetrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 130758234
2-Cyclopropyl-1-(2-methyltetrazol-5-yl)ethanone
CID 130905535

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopropyl)-(2-methyltetrazol-5-yl)methanone?
The IUPAC name of (1-ethylcyclopropyl)-(2-methyltetrazol-5-yl)methanone (CID 130863372) is (1-ethylcyclopropyl)-(2-methyltetrazol-5-yl)methanone.
What is the SMILES notation for (1-ethylcyclopropyl)-(2-methyltetrazol-5-yl)methanone?
The canonical SMILES for (1-ethylcyclopropyl)-(2-methyltetrazol-5-yl)methanone is CCC1(C(=O)c2nnn(C)n2)CC1.
What is the InChIKey of (1-ethylcyclopropyl)-(2-methyltetrazol-5-yl)methanone?
The InChIKey is FRBKMKKBLMFLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-3-8(4-5-8)6(13)7-9-11-12(2)10-7/h3-5H2,1-2H3.
What are the key properties of (1-ethylcyclopropyl)-(2-methyltetrazol-5-yl)methanone?
(1-ethylcyclopropyl)-(2-methyltetrazol-5-yl)methanone has a molecular weight of 180.21 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopropyl)-(2-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 130863372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).