CID 135524549

C14H24N7O2 — CID 135524549

IUPAC—
SMILESCN(/N=N/c1nc[nH]c1C(N)=O)C1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C14H24N7O2/c1-13(2)6-9(7-14(3,4)21(13)23)20(5)19-18-12-10(11(15)22)16-8-17-12/h8-9H,6-7H2,1-5H3,(H2,15,22)(H,16,17)/b19-18+
InChIKeyCBANYOPUPVYRMC-VHEBQXMUSA-N
MW322.39 g/mol
LogP1.81
Rot. Bonds4

About CID 135524549

CID 135524549 (PubChem CID 135524549) has the molecular formula C14H24N7O2 and a molecular weight of 322.39 g/mol.

Molecular Properties

Compound NameCID 135524549
PubChem CID135524549
Molecular FormulaC14H24N7O2
Molecular Weight322.39 g/mol
Exact Mass322.20
IUPAC Name—
SMILESCN(/N=N/c1nc[nH]c1C(N)=O)C1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C14H24N7O2/c1-13(2)6-9(7-14(3,4)21(13)23)20(5)19-18-12-10(11(15)22)16-8-17-12/h8-9H,6-7H2,1-5H3,(H2,15,22)(H,16,17)/b19-18+
InChIKeyCBANYOPUPVYRMC-VHEBQXMUSA-N
XLogP1.81
TPSA122.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-[hydroxymethyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide
CID 135518056
4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide
CID 135459437
4-[(E)-[benzyl(dimethylamino)amino]diazenyl]-1H-imidazole-5-carboxamide
CID 135468258
2-[2-acetyloxyethyl-[(E)-(5-carbamoyl-1H-imidazol-4-yl)diazenyl]amino]ethyl acetate
CID 135459384
4-[(E)-[acetyl(2-fluoroethyl)amino]diazenyl]-1H-imidazole-5-carboxamide
CID 166540383
4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide;5-fluoro-1H-pyrimidine-2,4-dione
CID 173010993
4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbohydrazide
CID 135418548
4-[(E)-dimethylaminodiazenyl]-N'-methyl-1H-imidazole-5-carboximidamide
CID 135778850
2-[(5-carbamoyl-1H-imidazol-4-yl)diazenyl]-4-hydroxyimidazole-4-carboxamide
CID 136655045
4-diazenyl-1H-imidazole-5-carboxamide;methanol
CID 143820747
4-(butan-2-ylideneamino)-1H-imidazole-5-carboxamide
CID 174089409
CID 177498131
CID 177498131

Frequently Asked Questions

What is the IUPAC name of CID 135524549?
The IUPAC name of CID 135524549 (CID 135524549) is not available.
What is the SMILES notation for CID 135524549?
The canonical SMILES for CID 135524549 is CN(/N=N/c1nc[nH]c1C(N)=O)C1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 135524549?
The InChIKey is CBANYOPUPVYRMC-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H24N7O2/c1-13(2)6-9(7-14(3,4)21(13)23)20(5)19-18-12-10(11(15)22)16-8-17-12/h8-9H,6-7H2,1-5H3,(H2,15,22)(H,16,17)/b19-18+.
What are the key properties of CID 135524549?
CID 135524549 has a molecular weight of 322.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135524549 is sourced from PubChem (CID 135524549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).