3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide

C9H17N7O2 — CID 80905968

IUPAC3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide
SMILESCC(C)Oc1nc(NN)nc(NCCC(N)=O)n1
InChIInChI=1S/C9H17N7O2/c1-5(2)18-9-14-7(12-4-3-6(10)17)13-8(15-9)16-11/h5H,3-4,11H2,1-2H3,(H2,10,17)(H2,12,13,14,15,16)
InChIKeyPTARGZMBLOBNFV-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.77
Rot. Bonds7

About 3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide

3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide (PubChem CID 80905968) has the molecular formula C9H17N7O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide
PubChem CID80905968
Molecular FormulaC9H17N7O2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide
SMILESCC(C)Oc1nc(NN)nc(NCCC(N)=O)n1
InChIInChI=1S/C9H17N7O2/c1-5(2)18-9-14-7(12-4-3-6(10)17)13-8(15-9)16-11/h5H,3-4,11H2,1-2H3,(H2,10,17)(H2,12,13,14,15,16)
InChIKeyPTARGZMBLOBNFV-UHFFFAOYSA-N
XLogP-0.77
TPSA141.07 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.77
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'}

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Related Compounds

2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]ethylurea
CID 83117573
4-hydrazinyl-N-(2-methoxyethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80931989
N-ethyl-2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]acetamide
CID 80906622
1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol
CID 80915056
N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 80932481
N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)propane-1,3-diamine
CID 80938206
methyl 2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 80783468
4-hydrazinyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80944783
ethyl 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanoate
CID 80897794
2-hydroxy-3-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 106178974
2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 80794931
N-tert-butyl-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80920133

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide?
The IUPAC name of 3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide (CID 80905968) is 3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide.
What is the SMILES notation for 3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide?
The canonical SMILES for 3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide is CC(C)Oc1nc(NN)nc(NCCC(N)=O)n1.
What is the InChIKey of 3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide?
The InChIKey is PTARGZMBLOBNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N7O2/c1-5(2)18-9-14-7(12-4-3-6(10)17)13-8(15-9)16-11/h5H,3-4,11H2,1-2H3,(H2,10,17)(H2,12,13,14,15,16).
What are the key properties of 3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide?
3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide has a molecular weight of 255.28 g/mol, XLogP of -0.77, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide is sourced from PubChem (CID 80905968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).