4-(cyclopropylamino)-1-(2-methyltetrazol-5-yl)butan-2-one

C9H15N5O — CID 107061874

IUPAC4-(cyclopropylamino)-1-(2-methyltetrazol-5-yl)butan-2-one
SMILESCn1nnc(CC(=O)CCNC2CC2)n1
InChIInChI=1S/C9H15N5O/c1-14-12-9(11-13-14)6-8(15)4-5-10-7-2-3-7/h7,10H,2-6H2,1H3
InChIKeyBCXOVICJZZTNHX-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.54
Rot. Bonds6

About 4-(cyclopropylamino)-1-(2-methyltetrazol-5-yl)butan-2-one

4-(cyclopropylamino)-1-(2-methyltetrazol-5-yl)butan-2-one (PubChem CID 107061874) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(cyclopropylamino)-1-(2-methyltetrazol-5-yl)butan-2-one.

Molecular Properties

Compound Name4-(cyclopropylamino)-1-(2-methyltetrazol-5-yl)butan-2-one
PubChem CID107061874
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name4-(cyclopropylamino)-1-(2-methyltetrazol-5-yl)butan-2-one
SMILESCn1nnc(CC(=O)CCNC2CC2)n1
InChIInChI=1S/C9H15N5O/c1-14-12-9(11-13-14)6-8(15)4-5-10-7-2-3-7/h7,10H,2-6H2,1H3
InChIKeyBCXOVICJZZTNHX-UHFFFAOYSA-N
XLogP-0.54
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-1-(2-methyltetrazol-5-yl)butan-2-one?
The IUPAC name of 4-(cyclopropylamino)-1-(2-methyltetrazol-5-yl)butan-2-one (CID 107061874) is 4-(cyclopropylamino)-1-(2-methyltetrazol-5-yl)butan-2-one.
What is the SMILES notation for 4-(cyclopropylamino)-1-(2-methyltetrazol-5-yl)butan-2-one?
The canonical SMILES for 4-(cyclopropylamino)-1-(2-methyltetrazol-5-yl)butan-2-one is Cn1nnc(CC(=O)CCNC2CC2)n1.
What is the InChIKey of 4-(cyclopropylamino)-1-(2-methyltetrazol-5-yl)butan-2-one?
The InChIKey is BCXOVICJZZTNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-14-12-9(11-13-14)6-8(15)4-5-10-7-2-3-7/h7,10H,2-6H2,1H3.
What are the key properties of 4-(cyclopropylamino)-1-(2-methyltetrazol-5-yl)butan-2-one?
4-(cyclopropylamino)-1-(2-methyltetrazol-5-yl)butan-2-one has a molecular weight of 209.25 g/mol, XLogP of -0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-1-(2-methyltetrazol-5-yl)butan-2-one is sourced from PubChem (CID 107061874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).