5-amino-1-(2-methyltetrazol-5-yl)pentan-2-one

C7H13N5O — CID 107061795

IUPAC5-amino-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCn1nnc(CC(=O)CCCN)n1
InChIInChI=1S/C7H13N5O/c1-12-10-7(9-11-12)5-6(13)3-2-4-8/h2-5,8H2,1H3
InChIKeyDVUZGYQCWISWSY-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.94
Rot. Bonds5

About 5-amino-1-(2-methyltetrazol-5-yl)pentan-2-one

5-amino-1-(2-methyltetrazol-5-yl)pentan-2-one (PubChem CID 107061795) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-amino-1-(2-methyltetrazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name5-amino-1-(2-methyltetrazol-5-yl)pentan-2-one
PubChem CID107061795
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name5-amino-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCn1nnc(CC(=O)CCCN)n1
InChIInChI=1S/C7H13N5O/c1-12-10-7(9-11-12)5-6(13)3-2-4-8/h2-5,8H2,1H3
InChIKeyDVUZGYQCWISWSY-UHFFFAOYSA-N
XLogP-0.94
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Methyltetrazol-5-yl)butan-2-one
CID 107046878
Ethane;methanamine;5-(2-methyltetrazol-5-yl)pentan-2-one
CID 172238397
3-Amino-1-(2-ethyltetrazol-5-yl)propan-1-one
CID 84765548
3-Amino-1-(2-propyltetrazol-5-yl)propan-1-one
CID 84769019
4-(2-Methyltetrazol-5-yl)butan-2-one
CID 107044500
1-(2-Methyltetrazol-5-yl)hexan-3-one
CID 107044501
1-(2-Methyltetrazol-5-yl)pentan-3-one
CID 107044505
1-(2-Methyltetrazol-5-yl)pentan-2-one
CID 107046890
1-(2-Methyltetrazol-5-yl)hexan-2-one
CID 107047272
5-(2-Methyltetrazol-5-yl)pentan-2-one
CID 107054794
1-Amino-3-(2-methyl-2h-1,2,3,4-tetrazol-5-yl)propan-2-one
CID 107061738
3-Amino-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061744

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-methyltetrazol-5-yl)pentan-2-one?
The IUPAC name of 5-amino-1-(2-methyltetrazol-5-yl)pentan-2-one (CID 107061795) is 5-amino-1-(2-methyltetrazol-5-yl)pentan-2-one.
What is the SMILES notation for 5-amino-1-(2-methyltetrazol-5-yl)pentan-2-one?
The canonical SMILES for 5-amino-1-(2-methyltetrazol-5-yl)pentan-2-one is Cn1nnc(CC(=O)CCCN)n1.
What is the InChIKey of 5-amino-1-(2-methyltetrazol-5-yl)pentan-2-one?
The InChIKey is DVUZGYQCWISWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-12-10-7(9-11-12)5-6(13)3-2-4-8/h2-5,8H2,1H3.
What are the key properties of 5-amino-1-(2-methyltetrazol-5-yl)pentan-2-one?
5-amino-1-(2-methyltetrazol-5-yl)pentan-2-one has a molecular weight of 183.21 g/mol, XLogP of -0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-methyltetrazol-5-yl)pentan-2-one is sourced from PubChem (CID 107061795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).