[1-(aminomethyl)cyclopropyl]-(1-methyltetrazol-5-yl)methanone

C7H11N5O — CID 164659201

IUPAC[1-(aminomethyl)cyclopropyl]-(1-methyltetrazol-5-yl)methanone
SMILESCn1nnnc1C(=O)C1(CN)CC1
InChIInChI=1S/C7H11N5O/c1-12-6(9-10-11-12)5(13)7(4-8)2-3-7/h2-4,8H2,1H3
InChIKeyOSRZNFJODRSDMC-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.87
Rot. Bonds3

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

[1-(aminomethyl)cyclopropyl]-(1-methyltetrazol-5-yl)methanone (PubChem CID 164659201) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(1-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(1-methyltetrazol-5-yl)methanone
PubChem CID164659201
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name[1-(aminomethyl)cyclopropyl]-(1-methyltetrazol-5-yl)methanone
SMILESCn1nnnc1C(=O)C1(CN)CC1
InChIInChI=1S/C7H11N5O/c1-12-6(9-10-11-12)5(13)7(4-8)2-3-7/h2-4,8H2,1H3
InChIKeyOSRZNFJODRSDMC-UHFFFAOYSA-N
XLogP-0.87
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Amino-2-methyl-1-(1-methyl-1h-1,2,3,4-tetrazol-5-yl)butan-1-one
CID 164659204
3-Amino-2,2-dimethyl-1-(1-methyl-1h-1,2,3,4-tetrazol-5-yl)propan-1-one
CID 164659205
3-Amino-3-methyl-1-(1-methyl-1h-1,2,3,4-tetrazol-5-yl)butan-1-one
CID 164659207
3-amino-1-(1-methyl-1H-1,2,3,4-tetrazol-5-yl)propan-1-one
CID 165865340

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(1-methyltetrazol-5-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(1-methyltetrazol-5-yl)methanone (CID 164659201) is [1-(aminomethyl)cyclopropyl]-(1-methyltetrazol-5-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(1-methyltetrazol-5-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(1-methyltetrazol-5-yl)methanone is Cn1nnnc1C(=O)C1(CN)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(1-methyltetrazol-5-yl)methanone?
The InChIKey is OSRZNFJODRSDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-12-6(9-10-11-12)5(13)7(4-8)2-3-7/h2-4,8H2,1H3.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(1-methyltetrazol-5-yl)methanone?
[1-(aminomethyl)cyclopropyl]-(1-methyltetrazol-5-yl)methanone has a molecular weight of 181.20 g/mol, XLogP of -0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(1-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 164659201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).