N'-[4-[amino-[(Z)-2-aminohex-1-enyl]amino]benzoyl]-4-(4-butyltriazol-1-yl)benzohydrazide;ethane

C30H46N8O2 — CID 164907697

IUPACN'-[4-[amino-[(Z)-2-aminohex-1-enyl]amino]benzoyl]-4-(4-butyltriazol-1-yl)benzohydrazide;ethane
SMILESCC.CC.CCCC/C(N)=C/N(N)c1ccc(C(=O)NNC(=O)c2ccc(-n3cc(CCCC)nn3)cc2)cc1
InChIInChI=1S/C26H34N8O2.2C2H6/c1-3-5-7-21(27)17-33(28)23-13-9-19(10-14-23)25(35)30-31-26(36)20-11-15-24(16-12-20)34-18-22(29-32-34)8-6-4-2;2*1-2/h9-18H,3-8,27-28H2,1-2H3,(H,30,35)(H,31,36);2*1-2H3/b21-17-;;
InChIKeyOVZIQSAOKSYZBA-ZZTUKWCFSA-N
MW550.75 g/mol
LogP5.41
Rot. Bonds11

About N'-[4-[amino-[(Z)-2-aminohex-1-enyl]amino]benzoyl]-4-(4-butyltriazol-1-yl)benzohydrazide;ethane

N'-[4-[amino-[(Z)-2-aminohex-1-enyl]amino]benzoyl]-4-(4-butyltriazol-1-yl)benzohydrazide;ethane (PubChem CID 164907697) has the molecular formula C30H46N8O2 and a molecular weight of 550.75 g/mol. Its IUPAC name is N'-[4-[amino-[(Z)-2-aminohex-1-enyl]amino]benzoyl]-4-(4-butyltriazol-1-yl)benzohydrazide;ethane.

Molecular Properties

Compound NameN'-[4-[amino-[(Z)-2-aminohex-1-enyl]amino]benzoyl]-4-(4-butyltriazol-1-yl)benzohydrazide;ethane
PubChem CID164907697
Molecular FormulaC30H46N8O2
Molecular Weight550.75 g/mol
Exact Mass550.37
IUPAC NameN'-[4-[amino-[(Z)-2-aminohex-1-enyl]amino]benzoyl]-4-(4-butyltriazol-1-yl)benzohydrazide;ethane
SMILESCC.CC.CCCC/C(N)=C/N(N)c1ccc(C(=O)NNC(=O)c2ccc(-n3cc(CCCC)nn3)cc2)cc1
InChIInChI=1S/C26H34N8O2.2C2H6/c1-3-5-7-21(27)17-33(28)23-13-9-19(10-14-23)25(35)30-31-26(36)20-11-15-24(16-12-20)34-18-22(29-32-34)8-6-4-2;2*1-2/h9-18H,3-8,27-28H2,1-2H3,(H,30,35)(H,31,36);2*1-2H3/b21-17-;;
InChIKeyOVZIQSAOKSYZBA-ZZTUKWCFSA-N
XLogP5.41
TPSA144.19 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.75
LogP ≤ 55.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N'-[4-[amino-[(Z)-2-aminohex-1-enyl]amino]benzoyl]-4-(4-butyltriazol-1-yl)benzohydrazide;ethane with MolForge

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Related Compounds

4-(4-butyltriazol-1-yl)-N'-(4-propan-2-yloxybenzoyl)benzohydrazide
CID 164907696
3-[[[4-(4-butyltriazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide
CID 164907756
tert-butyl 4-[4-[[[4-(4-butyltriazol-1-yl)benzoyl]amino]carbamoyl]phenyl]piperidine-1-carboxylate
CID 164907724
4-(4-pentyltriazol-1-yl)phenol
CID 122501204
N'-[4-(4-butyltriazol-1-yl)benzoyl]-5-cyclohexyloxy-2-methylbenzohydrazide
CID 172786585
4-butyl-1-(4-nitrophenyl)triazole
CID 122455319
4-butyl-1-phenyltriazole
CID 25191665
3-[1-(4-acetylphenyl)triazol-4-yl]propanoic acid
CID 82369393
N-(2-amino-3H-benzimidazol-5-yl)-4-(4-decyltriazol-1-yl)benzamide;hydrochloride
CID 54582789
2-[1-(4-butylphenyl)triazol-4-yl]acetic acid
CID 112519149
4-hexyl-1-(4-methylphenyl)triazole
CID 102278184
2-(dimethylamino)ethyl-dimethyl-[2-[4-(4-octyltriazol-1-yl)phenyl]-2-oxoethyl]azanium
CID 102457078

Frequently Asked Questions

What is the IUPAC name of N'-[4-[amino-[(Z)-2-aminohex-1-enyl]amino]benzoyl]-4-(4-butyltriazol-1-yl)benzohydrazide;ethane?
The IUPAC name of N'-[4-[amino-[(Z)-2-aminohex-1-enyl]amino]benzoyl]-4-(4-butyltriazol-1-yl)benzohydrazide;ethane (CID 164907697) is N'-[4-[amino-[(Z)-2-aminohex-1-enyl]amino]benzoyl]-4-(4-butyltriazol-1-yl)benzohydrazide;ethane.
What is the SMILES notation for N'-[4-[amino-[(Z)-2-aminohex-1-enyl]amino]benzoyl]-4-(4-butyltriazol-1-yl)benzohydrazide;ethane?
The canonical SMILES for N'-[4-[amino-[(Z)-2-aminohex-1-enyl]amino]benzoyl]-4-(4-butyltriazol-1-yl)benzohydrazide;ethane is CC.CC.CCCC/C(N)=C/N(N)c1ccc(C(=O)NNC(=O)c2ccc(-n3cc(CCCC)nn3)cc2)cc1.
What is the InChIKey of N'-[4-[amino-[(Z)-2-aminohex-1-enyl]amino]benzoyl]-4-(4-butyltriazol-1-yl)benzohydrazide;ethane?
The InChIKey is OVZIQSAOKSYZBA-ZZTUKWCFSA-N. The full InChI is InChI=1S/C26H34N8O2.2C2H6/c1-3-5-7-21(27)17-33(28)23-13-9-19(10-14-23)25(35)30-31-26(36)20-11-15-24(16-12-20)34-18-22(29-32-34)8-6-4-2;2*1-2/h9-18H,3-8,27-28H2,1-2H3,(H,30,35)(H,31,36);2*1-2H3/b21-17-;;.
What are the key properties of N'-[4-[amino-[(Z)-2-aminohex-1-enyl]amino]benzoyl]-4-(4-butyltriazol-1-yl)benzohydrazide;ethane?
N'-[4-[amino-[(Z)-2-aminohex-1-enyl]amino]benzoyl]-4-(4-butyltriazol-1-yl)benzohydrazide;ethane has a molecular weight of 550.75 g/mol, XLogP of 5.41, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[amino-[(Z)-2-aminohex-1-enyl]amino]benzoyl]-4-(4-butyltriazol-1-yl)benzohydrazide;ethane is sourced from PubChem (CID 164907697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).