N'-[2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetyl]-3-methylbenzohydrazide

C16H20N6O3 — CID 166386192

IUPACN'-[2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetyl]-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)Cn2nnn(C3CCCC3)c2=O)c1
InChIInChI=1S/C16H20N6O3/c1-11-5-4-6-12(9-11)15(24)18-17-14(23)10-21-16(25)22(20-19-21)13-7-2-3-8-13/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,17,23)(H,18,24)
InChIKeyPTCBECGJEGAWDP-UHFFFAOYSA-N
MW344.38 g/mol
LogP0.32
Rot. Bonds4

About N'-[2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetyl]-3-methylbenzohydrazide

N'-[2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetyl]-3-methylbenzohydrazide (PubChem CID 166386192) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is N'-[2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetyl]-3-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetyl]-3-methylbenzohydrazide
PubChem CID166386192
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC NameN'-[2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetyl]-3-methylbenzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)Cn2nnn(C3CCCC3)c2=O)c1
InChIInChI=1S/C16H20N6O3/c1-11-5-4-6-12(9-11)15(24)18-17-14(23)10-21-16(25)22(20-19-21)13-7-2-3-8-13/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,17,23)(H,18,24)
InChIKeyPTCBECGJEGAWDP-UHFFFAOYSA-N
XLogP0.32
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetyl]-3-methylbenzohydrazide?
The IUPAC name of N'-[2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetyl]-3-methylbenzohydrazide (CID 166386192) is N'-[2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetyl]-3-methylbenzohydrazide.
What is the SMILES notation for N'-[2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetyl]-3-methylbenzohydrazide?
The canonical SMILES for N'-[2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetyl]-3-methylbenzohydrazide is Cc1cccc(C(=O)NNC(=O)Cn2nnn(C3CCCC3)c2=O)c1.
What is the InChIKey of N'-[2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetyl]-3-methylbenzohydrazide?
The InChIKey is PTCBECGJEGAWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-11-5-4-6-12(9-11)15(24)18-17-14(23)10-21-16(25)22(20-19-21)13-7-2-3-8-13/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,17,23)(H,18,24).
What are the key properties of N'-[2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetyl]-3-methylbenzohydrazide?
N'-[2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetyl]-3-methylbenzohydrazide has a molecular weight of 344.38 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetyl]-3-methylbenzohydrazide is sourced from PubChem (CID 166386192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).