2-amino-1-(1-methyltetrazol-5-yl)ethanone

C4H7N5O — CID 82418123

IUPAC2-amino-1-(1-methyltetrazol-5-yl)ethanone
SMILESCn1nnnc1C(=O)CN
InChIInChI=1S/C4H7N5O/c1-9-4(3(10)2-5)6-7-8-9/h2,5H2,1H3
InChIKeyMAKIWKRQWDWWHN-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.65
Rot. Bonds2

About 2-amino-1-(1-methyltetrazol-5-yl)ethanone

2-amino-1-(1-methyltetrazol-5-yl)ethanone (PubChem CID 82418123) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-amino-1-(1-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(1-methyltetrazol-5-yl)ethanone
PubChem CID82418123
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC Name2-amino-1-(1-methyltetrazol-5-yl)ethanone
SMILESCn1nnnc1C(=O)CN
InChIInChI=1S/C4H7N5O/c1-9-4(3(10)2-5)6-7-8-9/h2,5H2,1H3
InChIKeyMAKIWKRQWDWWHN-UHFFFAOYSA-N
XLogP-1.65
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-methyltetrazol-5-yl)ethanone?
The IUPAC name of 2-amino-1-(1-methyltetrazol-5-yl)ethanone (CID 82418123) is 2-amino-1-(1-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 2-amino-1-(1-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 2-amino-1-(1-methyltetrazol-5-yl)ethanone is Cn1nnnc1C(=O)CN.
What is the InChIKey of 2-amino-1-(1-methyltetrazol-5-yl)ethanone?
The InChIKey is MAKIWKRQWDWWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O/c1-9-4(3(10)2-5)6-7-8-9/h2,5H2,1H3.
What are the key properties of 2-amino-1-(1-methyltetrazol-5-yl)ethanone?
2-amino-1-(1-methyltetrazol-5-yl)ethanone has a molecular weight of 141.13 g/mol, XLogP of -1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 82418123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).