2-N-(4-chloro-1,3,5-triazin-2-yl)-1-N,1-N',1-N"-trimethylethane-1,1,1,2-tetramine

C8H16ClN7 — CID 88633672

IUPAC2-N-(4-chloro-1,3,5-triazin-2-yl)-1-N,1-N',1-N"-trimethylethane-1,1,1,2-tetramine
SMILESCNC(CNc1ncnc(Cl)n1)(NC)NC
InChIInChI=1S/C8H16ClN7/c1-10-8(11-2,12-3)4-13-7-15-5-14-6(9)16-7/h5,10-12H,4H2,1-3H3,(H,13,14,15,16)
InChIKeyZHAUKOZTMZKNRG-UHFFFAOYSA-N
MW245.72 g/mol
LogP-0.75
Rot. Bonds6

About 2-N-(4-chloro-1,3,5-triazin-2-yl)-1-N,1-N',1-N"-trimethylethane-1,1,1,2-tetramine

2-N-(4-chloro-1,3,5-triazin-2-yl)-1-N,1-N',1-N"-trimethylethane-1,1,1,2-tetramine (PubChem CID 88633672) has the molecular formula C8H16ClN7 and a molecular weight of 245.72 g/mol. Its IUPAC name is 2-N-(4-chloro-1,3,5-triazin-2-yl)-1-N,1-N',1-N"-trimethylethane-1,1,1,2-tetramine.

Molecular Properties

Compound Name2-N-(4-chloro-1,3,5-triazin-2-yl)-1-N,1-N',1-N"-trimethylethane-1,1,1,2-tetramine
PubChem CID88633672
Molecular FormulaC8H16ClN7
Molecular Weight245.72 g/mol
Exact Mass245.12
IUPAC Name2-N-(4-chloro-1,3,5-triazin-2-yl)-1-N,1-N',1-N"-trimethylethane-1,1,1,2-tetramine
SMILESCNC(CNc1ncnc(Cl)n1)(NC)NC
InChIInChI=1S/C8H16ClN7/c1-10-8(11-2,12-3)4-13-7-15-5-14-6(9)16-7/h5,10-12H,4H2,1-3H3,(H,13,14,15,16)
InChIKeyZHAUKOZTMZKNRG-UHFFFAOYSA-N
XLogP-0.75
TPSA86.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(4-ethoxyfuran-2-yl)methyl]-1,3,5-triazin-2-amine
CID 87237610
4-chloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine
CID 172686201
4-chloro-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 22028121
potassium;2,4-dichloro-1,3,5-triazine;hydride
CID 173118138
2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol
CID 155174421
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-triazine-2,4-diamine
CID 5216
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
4,6-dichloro-N-(2-methyl-2-phenylpropyl)-1,3,5-triazin-2-amine
CID 114156465
[2-[(4-chloro-1,3,5-triazin-2-yl)amino]phenyl]methanol
CID 123825024
N-(2,2-difluoropropyl)-4-[3-(methylamino)azetidin-1-yl]-1,3,5-triazin-2-amine
CID 156717740
3-[[(4,6-dichloro-1,3,5-triazin-2-yl)amino]methyl]pentan-3-ol
CID 65108708

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-1,3,5-triazin-2-yl)-1-N,1-N',1-N"-trimethylethane-1,1,1,2-tetramine?
The IUPAC name of 2-N-(4-chloro-1,3,5-triazin-2-yl)-1-N,1-N',1-N"-trimethylethane-1,1,1,2-tetramine (CID 88633672) is 2-N-(4-chloro-1,3,5-triazin-2-yl)-1-N,1-N',1-N"-trimethylethane-1,1,1,2-tetramine.
What is the SMILES notation for 2-N-(4-chloro-1,3,5-triazin-2-yl)-1-N,1-N',1-N"-trimethylethane-1,1,1,2-tetramine?
The canonical SMILES for 2-N-(4-chloro-1,3,5-triazin-2-yl)-1-N,1-N',1-N"-trimethylethane-1,1,1,2-tetramine is CNC(CNc1ncnc(Cl)n1)(NC)NC.
What is the InChIKey of 2-N-(4-chloro-1,3,5-triazin-2-yl)-1-N,1-N',1-N"-trimethylethane-1,1,1,2-tetramine?
The InChIKey is ZHAUKOZTMZKNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN7/c1-10-8(11-2,12-3)4-13-7-15-5-14-6(9)16-7/h5,10-12H,4H2,1-3H3,(H,13,14,15,16).
What are the key properties of 2-N-(4-chloro-1,3,5-triazin-2-yl)-1-N,1-N',1-N"-trimethylethane-1,1,1,2-tetramine?
2-N-(4-chloro-1,3,5-triazin-2-yl)-1-N,1-N',1-N"-trimethylethane-1,1,1,2-tetramine has a molecular weight of 245.72 g/mol, XLogP of -0.75, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-1,3,5-triazin-2-yl)-1-N,1-N',1-N"-trimethylethane-1,1,1,2-tetramine is sourced from PubChem (CID 88633672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).