1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one

C10H19N7O — CID 163750011

IUPAC1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one
SMILESCNC1CNCCN1C(=O)CCCc1nn[nH]n1
InChIInChI=1S/C10H19N7O/c1-11-9-7-12-5-6-17(9)10(18)4-2-3-8-13-15-16-14-8/h9,11-12H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyLPESEYDCUYWESX-UHFFFAOYSA-N
MW253.31 g/mol
LogP-1.50
Rot. Bonds5

About 1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one

1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one (PubChem CID 163750011) has the molecular formula C10H19N7O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one.

Molecular Properties

Compound Name1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one
PubChem CID163750011
Molecular FormulaC10H19N7O
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one
SMILESCNC1CNCCN1C(=O)CCCc1nn[nH]n1
InChIInChI=1S/C10H19N7O/c1-11-9-7-12-5-6-17(9)10(18)4-2-3-8-13-15-16-14-8/h9,11-12H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyLPESEYDCUYWESX-UHFFFAOYSA-N
XLogP-1.50
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one?
The IUPAC name of 1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one (CID 163750011) is 1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one.
What is the SMILES notation for 1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one?
The canonical SMILES for 1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one is CNC1CNCCN1C(=O)CCCc1nn[nH]n1.
What is the InChIKey of 1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one?
The InChIKey is LPESEYDCUYWESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N7O/c1-11-9-7-12-5-6-17(9)10(18)4-2-3-8-13-15-16-14-8/h9,11-12H,2-7H2,1H3,(H,13,14,15,16).
What are the key properties of 1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one?
1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one has a molecular weight of 253.31 g/mol, XLogP of -1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)piperazin-1-yl]-4-(2H-tetrazol-5-yl)butan-1-one is sourced from PubChem (CID 163750011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).