N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine

C12H19N7O2 — CID 80923965

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NCc2c(C)noc2C)n1
InChIInChI=1S/C12H19N7O2/c1-4-5-20-12-16-10(15-11(17-12)18-13)14-6-9-7(2)19-21-8(9)3/h4-6,13H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyUTSWFUNTSHHVPS-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.16
Rot. Bonds7

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80923965) has the molecular formula C12H19N7O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80923965
Molecular FormulaC12H19N7O2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(NCc2c(C)noc2C)n1
InChIInChI=1S/C12H19N7O2/c1-4-5-20-12-16-10(15-11(17-12)18-13)14-6-9-7(2)19-21-8(9)3/h4-6,13H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyUTSWFUNTSHHVPS-UHFFFAOYSA-N
XLogP1.16
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80835627
4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 80918972
4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
CID 80932221
4-hydrazinyl-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 80911461
4-hydrazinyl-N-(2-methoxypropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 102701967
3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methylpropane-1,2-diol
CID 80922470
4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 79237881
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine
CID 112638161
[4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80910606
(4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80925478
1-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106249090
[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909820

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine (CID 80923965) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NN)nc(NCc2c(C)noc2C)n1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is UTSWFUNTSHHVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O2/c1-4-5-20-12-16-10(15-11(17-12)18-13)14-6-9-7(2)19-21-8(9)3/h4-6,13H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 293.33 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80923965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).