1-[1-(aminomethyl)cyclopropyl]-2-(2-methyltetrazol-5-yl)ethanone

C8H13N5O — CID 107062383

IUPAC1-[1-(aminomethyl)cyclopropyl]-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2(CN)CC2)n1
InChIInChI=1S/C8H13N5O/c1-13-11-7(10-12-13)4-6(14)8(5-9)2-3-8/h2-5,9H2,1H3
InChIKeyPMVBFHKYKDDVJF-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.94
Rot. Bonds4

About 1-[1-(aminomethyl)cyclopropyl]-2-(2-methyltetrazol-5-yl)ethanone

1-[1-(aminomethyl)cyclopropyl]-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107062383) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopropyl]-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopropyl]-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107062383
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name1-[1-(aminomethyl)cyclopropyl]-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2(CN)CC2)n1
InChIInChI=1S/C8H13N5O/c1-13-11-7(10-12-13)4-6(14)8(5-9)2-3-8/h2-5,9H2,1H3
InChIKeyPMVBFHKYKDDVJF-UHFFFAOYSA-N
XLogP-0.94
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Cyclopropyl-2-(2-methyltetrazol-5-yl)ethanone
CID 11378701
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
4,4-Dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-one
CID 107044503
1-[1-[(2-Methyltetrazol-5-yl)methyl]cyclopropyl]ethanone
CID 107044560
4-Methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107046864
3-Methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047052
4,4-Dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047057
1-(2-Methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047175
1-(1-Methylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047335
1-Cyclopropyl-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047339
4,4-Dimethyl-5-(2-methyltetrazol-5-yl)pentan-2-one
CID 107054816

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-2-(2-methyltetrazol-5-yl)ethanone (CID 107062383) is 1-[1-(aminomethyl)cyclopropyl]-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopropyl]-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-[1-(aminomethyl)cyclopropyl]-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2(CN)CC2)n1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopropyl]-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is PMVBFHKYKDDVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-13-11-7(10-12-13)4-6(14)8(5-9)2-3-8/h2-5,9H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclopropyl]-2-(2-methyltetrazol-5-yl)ethanone?
1-[1-(aminomethyl)cyclopropyl]-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 195.23 g/mol, XLogP of -0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopropyl]-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107062383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).