2-methyl-N'-[2-(2H-tetrazol-5-yl)acetyl]pentanehydrazide

C9H16N6O2 — CID 154450387

IUPAC2-methyl-N'-[2-(2H-tetrazol-5-yl)acetyl]pentanehydrazide
SMILESCCCC(C)C(=O)NNC(=O)Cc1nn[nH]n1
InChIInChI=1S/C9H16N6O2/c1-3-4-6(2)9(17)13-12-8(16)5-7-10-14-15-11-7/h6H,3-5H2,1-2H3,(H,12,16)(H,13,17)(H,10,11,14,15)
InChIKeyOECKHCMEVMLXKU-UHFFFAOYSA-N
MW240.27 g/mol
LogP-0.67
Rot. Bonds5

About 2-methyl-N'-[2-(2H-tetrazol-5-yl)acetyl]pentanehydrazide

2-methyl-N'-[2-(2H-tetrazol-5-yl)acetyl]pentanehydrazide (PubChem CID 154450387) has the molecular formula C9H16N6O2 and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-methyl-N'-[2-(2H-tetrazol-5-yl)acetyl]pentanehydrazide.

Molecular Properties

Compound Name2-methyl-N'-[2-(2H-tetrazol-5-yl)acetyl]pentanehydrazide
PubChem CID154450387
Molecular FormulaC9H16N6O2
Molecular Weight240.27 g/mol
Exact Mass240.13
IUPAC Name2-methyl-N'-[2-(2H-tetrazol-5-yl)acetyl]pentanehydrazide
SMILESCCCC(C)C(=O)NNC(=O)Cc1nn[nH]n1
InChIInChI=1S/C9H16N6O2/c1-3-4-6(2)9(17)13-12-8(16)5-7-10-14-15-11-7/h6H,3-5H2,1-2H3,(H,12,16)(H,13,17)(H,10,11,14,15)
InChIKeyOECKHCMEVMLXKU-UHFFFAOYSA-N
XLogP-0.67
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2H-tetrazol-5-yl)-N-[2-[[2-(2H-tetrazol-5-yl)acetyl]amino]ethyl]acetamide
CID 22307052
(2-methylpentanoylamino)thiourea
CID 65217200
N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110496403
N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499439
N'-[2-(4-fluorophenyl)acetyl]-2-methylbutanehydrazide
CID 47141193
ethane;1-(2H-tetrazol-5-yl)propan-2-one
CID 156809476
2-[(2H-tetrazol-5-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65222804
2-methyl-4-(2H-tetrazol-5-ylmethylcarbamoylamino)butanoic acid
CID 80541695
2-methyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide
CID 78771942
lanthanum;tris(2-(2H-tetrazol-5-yl)acetic acid)
CID 156633731
hydron;2-(2H-tetrazol-5-yl)acetic acid
CID 174732621
N-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide
CID 110499370

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(2H-tetrazol-5-yl)acetyl]pentanehydrazide?
The IUPAC name of 2-methyl-N'-[2-(2H-tetrazol-5-yl)acetyl]pentanehydrazide (CID 154450387) is 2-methyl-N'-[2-(2H-tetrazol-5-yl)acetyl]pentanehydrazide.
What is the SMILES notation for 2-methyl-N'-[2-(2H-tetrazol-5-yl)acetyl]pentanehydrazide?
The canonical SMILES for 2-methyl-N'-[2-(2H-tetrazol-5-yl)acetyl]pentanehydrazide is CCCC(C)C(=O)NNC(=O)Cc1nn[nH]n1.
What is the InChIKey of 2-methyl-N'-[2-(2H-tetrazol-5-yl)acetyl]pentanehydrazide?
The InChIKey is OECKHCMEVMLXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O2/c1-3-4-6(2)9(17)13-12-8(16)5-7-10-14-15-11-7/h6H,3-5H2,1-2H3,(H,12,16)(H,13,17)(H,10,11,14,15).
What are the key properties of 2-methyl-N'-[2-(2H-tetrazol-5-yl)acetyl]pentanehydrazide?
2-methyl-N'-[2-(2H-tetrazol-5-yl)acetyl]pentanehydrazide has a molecular weight of 240.27 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(2H-tetrazol-5-yl)acetyl]pentanehydrazide is sourced from PubChem (CID 154450387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).