1-(1,4-dioxan-2-ylmethyl)-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine

C14H25N5O2 — CID 119151607

IUPAC1-(1,4-dioxan-2-ylmethyl)-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
SMILESC/N=C(\NCc1c(C)nn(C)c1C)NCC1COCCO1
InChIInChI=1S/C14H25N5O2/c1-10-13(11(2)19(4)18-10)8-17-14(15-3)16-7-12-9-20-5-6-21-12/h12H,5-9H2,1-4H3,(H2,15,16,17)
InChIKeyRVGRGTMRHZKEKK-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.12
Rot. Bonds4

About 1-(1,4-dioxan-2-ylmethyl)-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine

1-(1,4-dioxan-2-ylmethyl)-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine (PubChem CID 119151607) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-ylmethyl)-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-ylmethyl)-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
PubChem CID119151607
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name1-(1,4-dioxan-2-ylmethyl)-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
SMILESC/N=C(\NCc1c(C)nn(C)c1C)NCC1COCCO1
InChIInChI=1S/C14H25N5O2/c1-10-13(11(2)19(4)18-10)8-17-14(15-3)16-7-12-9-20-5-6-21-12/h12H,5-9H2,1-4H3,(H2,15,16,17)
InChIKeyRVGRGTMRHZKEKK-UHFFFAOYSA-N
XLogP0.12
TPSA72.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(1,4-dioxan-2-ylmethyl)-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(oxolan-2-ylmethyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111137185
2-methyl-1-(thian-4-ylmethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 119159066
2-methyl-1-propyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111782738
1-(1,4-dioxan-2-ylmethyl)-3-(furan-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 119151246
2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111369148
2-methyl-1-prop-2-enyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111548629
1-[[(2R)-oxolan-2-yl]methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 92750570
1-[(1-hydroxycyclohexyl)methyl]-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 119153048
2-methyl-1-[(2-methylphenyl)methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111785880
2-methyl-1-nonyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111786657
2-methyl-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 109407207
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111951980

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine?
The IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine (CID 119151607) is 1-(1,4-dioxan-2-ylmethyl)-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine.
What is the SMILES notation for 1-(1,4-dioxan-2-ylmethyl)-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine?
The canonical SMILES for 1-(1,4-dioxan-2-ylmethyl)-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine is C/N=C(\NCc1c(C)nn(C)c1C)NCC1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-ylmethyl)-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine?
The InChIKey is RVGRGTMRHZKEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-10-13(11(2)19(4)18-10)8-17-14(15-3)16-7-12-9-20-5-6-21-12/h12H,5-9H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-(1,4-dioxan-2-ylmethyl)-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine?
1-(1,4-dioxan-2-ylmethyl)-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine has a molecular weight of 295.39 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-ylmethyl)-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine is sourced from PubChem (CID 119151607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).