1-(2-methyltetrazol-5-yl)-5-(propan-2-ylamino)pentan-2-one

C10H19N5O — CID 107061860

IUPAC1-(2-methyltetrazol-5-yl)-5-(propan-2-ylamino)pentan-2-one
SMILESCC(C)NCCCC(=O)Cc1nnn(C)n1
InChIInChI=1S/C10H19N5O/c1-8(2)11-6-4-5-9(16)7-10-12-14-15(3)13-10/h8,11H,4-7H2,1-3H3
InChIKeyLSSCAISGSRTGNI-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.10
Rot. Bonds7

About 1-(2-methyltetrazol-5-yl)-5-(propan-2-ylamino)pentan-2-one

1-(2-methyltetrazol-5-yl)-5-(propan-2-ylamino)pentan-2-one (PubChem CID 107061860) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-5-(propan-2-ylamino)pentan-2-one.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-5-(propan-2-ylamino)pentan-2-one
PubChem CID107061860
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name1-(2-methyltetrazol-5-yl)-5-(propan-2-ylamino)pentan-2-one
SMILESCC(C)NCCCC(=O)Cc1nnn(C)n1
InChIInChI=1S/C10H19N5O/c1-8(2)11-6-4-5-9(16)7-10-12-14-15(3)13-10/h8,11H,4-7H2,1-3H3
InChIKeyLSSCAISGSRTGNI-UHFFFAOYSA-N
XLogP0.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-Methyltetrazol-5-yl)methyl]piperidin-4-one
CID 107044552
2-(2-Methyltetrazol-5-yl)-1-pyrrolidin-2-ylethanone
CID 107061719
2-(2-Methyltetrazol-5-yl)-1-piperidin-4-ylethanone
CID 107061723
2-(2-Methyltetrazol-5-yl)-1-piperidin-2-ylethanone
CID 107061727
5-Amino-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061795
3-Amino-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107061817
1-(2-Methyltetrazol-5-yl)-3-(propan-2-ylamino)propan-2-one
CID 107061820
1-(Cyclopropylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107061823
5-(Methylamino)-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061830
4-Amino-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107061833
1-(Butan-2-ylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107061836
1-(2-Methyltetrazol-5-yl)-4-(propan-2-ylamino)butan-2-one
CID 107061840

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-5-(propan-2-ylamino)pentan-2-one?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-5-(propan-2-ylamino)pentan-2-one (CID 107061860) is 1-(2-methyltetrazol-5-yl)-5-(propan-2-ylamino)pentan-2-one.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-5-(propan-2-ylamino)pentan-2-one?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-5-(propan-2-ylamino)pentan-2-one is CC(C)NCCCC(=O)Cc1nnn(C)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-5-(propan-2-ylamino)pentan-2-one?
The InChIKey is LSSCAISGSRTGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-8(2)11-6-4-5-9(16)7-10-12-14-15(3)13-10/h8,11H,4-7H2,1-3H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-5-(propan-2-ylamino)pentan-2-one?
1-(2-methyltetrazol-5-yl)-5-(propan-2-ylamino)pentan-2-one has a molecular weight of 225.30 g/mol, XLogP of 0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-5-(propan-2-ylamino)pentan-2-one is sourced from PubChem (CID 107061860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).