N'-acetyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetohydrazide

C10H18N6O2 — CID 66194155

IUPACN'-acetyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetohydrazide
SMILESCC(=O)NNC(=O)Cn1cc(CNC(C)C)nn1
InChIInChI=1S/C10H18N6O2/c1-7(2)11-4-9-5-16(15-13-9)6-10(18)14-12-8(3)17/h5,7,11H,4,6H2,1-3H3,(H,12,17)(H,14,18)
InChIKeyBLRRIIWYYUJUCY-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.06
Rot. Bonds5

About N'-acetyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetohydrazide

N'-acetyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetohydrazide (PubChem CID 66194155) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N'-acetyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetohydrazide
PubChem CID66194155
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC NameN'-acetyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetohydrazide
SMILESCC(=O)NNC(=O)Cn1cc(CNC(C)C)nn1
InChIInChI=1S/C10H18N6O2/c1-7(2)11-4-9-5-16(15-13-9)6-10(18)14-12-8(3)17/h5,7,11H,4,6H2,1-3H3,(H,12,17)(H,14,18)
InChIKeyBLRRIIWYYUJUCY-UHFFFAOYSA-N
XLogP-1.06
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66193581
N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66194550
N-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66194141
1-(azocan-1-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethanone
CID 66192997
N-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66193364
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 66214238
methyl 2-[4-[(butan-2-ylamino)methyl]triazol-1-yl]acetate
CID 115895226
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 66194493
ethane;N-[2-(methylamino)ethyl]-2-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethylamino]acetamide
CID 176576322
3-methyl-1-[4-[2-(propan-2-ylamino)ethyl]triazol-1-yl]butan-2-one
CID 167379866
N-[[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]methyl]propan-2-amine
CID 106734742
2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66192119

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetohydrazide?
The IUPAC name of N'-acetyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetohydrazide (CID 66194155) is N'-acetyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetohydrazide.
What is the SMILES notation for N'-acetyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetohydrazide?
The canonical SMILES for N'-acetyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetohydrazide is CC(=O)NNC(=O)Cn1cc(CNC(C)C)nn1.
What is the InChIKey of N'-acetyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetohydrazide?
The InChIKey is BLRRIIWYYUJUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2/c1-7(2)11-4-9-5-16(15-13-9)6-10(18)14-12-8(3)17/h5,7,11H,4,6H2,1-3H3,(H,12,17)(H,14,18).
What are the key properties of N'-acetyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetohydrazide?
N'-acetyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetohydrazide has a molecular weight of 254.29 g/mol, XLogP of -1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetohydrazide is sourced from PubChem (CID 66194155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).