2-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-methoxyguanidine

C9H18N8O — CID 18523914

IUPAC2-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-methoxyguanidine
SMILESCCNc1nc(/N=C(/N)NOC)nc(NCC)n1
InChIInChI=1S/C9H18N8O/c1-4-11-7-14-8(12-5-2)16-9(15-7)13-6(10)17-18-3/h4-5H2,1-3H3,(H5,10,11,12,13,14,15,16,17)
InChIKeyPCQAREOWCHWFOA-UHFFFAOYSA-N
MW254.30 g/mol
LogP-0.17
Rot. Bonds6

About 2-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-methoxyguanidine

2-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-methoxyguanidine (PubChem CID 18523914) has the molecular formula C9H18N8O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-methoxyguanidine.

Molecular Properties

Compound Name2-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-methoxyguanidine
PubChem CID18523914
Molecular FormulaC9H18N8O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-methoxyguanidine
SMILESCCNc1nc(/N=C(/N)NOC)nc(NCC)n1
InChIInChI=1S/C9H18N8O/c1-4-11-7-14-8(12-5-2)16-9(15-7)13-6(10)17-18-3/h4-5H2,1-3H3,(H5,10,11,12,13,14,15,16,17)
InChIKeyPCQAREOWCHWFOA-UHFFFAOYSA-N
XLogP-0.17
TPSA122.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-methoxyguanidine 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-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-methoxyguanidine
CID 19911828
2-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-1-methoxyguanidine
CID 56636600
[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]urea
CID 110178349
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
1-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 80841768
2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 19357503
1-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80842810
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]urea
CID 13196363
2-[4-(2-aminoethyl)phenyl]-1-methoxyguanidine;dihydrochloride
CID 18621832

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-methoxyguanidine?
The IUPAC name of 2-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-methoxyguanidine (CID 18523914) is 2-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-methoxyguanidine.
What is the SMILES notation for 2-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-methoxyguanidine?
The canonical SMILES for 2-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-methoxyguanidine is CCNc1nc(/N=C(/N)NOC)nc(NCC)n1.
What is the InChIKey of 2-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-methoxyguanidine?
The InChIKey is PCQAREOWCHWFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N8O/c1-4-11-7-14-8(12-5-2)16-9(15-7)13-6(10)17-18-3/h4-5H2,1-3H3,(H5,10,11,12,13,14,15,16,17).
What are the key properties of 2-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-methoxyguanidine?
2-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-methoxyguanidine has a molecular weight of 254.30 g/mol, XLogP of -0.17, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-methoxyguanidine is sourced from PubChem (CID 18523914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).